1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline

C129H157Cl6N17O13 — CID 158073945

IUPAC1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
SMILESCOc1cc2c(cc1OCCCN1CCCC1)nc(Cl)c1ccc(C)nc12.COc1cc2c(cc1OCCCN1CCCC1)nc(Cl)c1cccnc12.COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)CC(C)(C)N3.COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)CCCCN3.COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)CCN3Cc1ccccc1.COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)COCC3
InChIInChI=1S/C26H30ClN3O2.C21H28ClN3O2.C21H24ClN3O2.C21H28ClN3O2.C20H22ClN3O2.C20H25ClN2O3/c1-31-23-16-21-22(17-24(23)32-15-7-13-29-11-5-6-12-29)28-26(27)20-10-14-30(25(20)21)18-19-8-3-2-4-9-19;1-21(2)13-15-19(24-21)14-11-17(26-3)18(12-16(14)23-20(15)22)27-10-6-9-25-7-4-5-8-25;1-14-6-7-15-20(23-14)16-12-18(26-2)19(13-17(16)24-21(15)22)27-11-5-10-25-8-3-4-9-25;1-26-18-13-16-17(24-21(22)15-7-2-3-8-23-20(15)16)14-19(18)27-12-6-11-25-9-4-5-10-25;1-25-17-12-15-16(23-20(21)14-6-4-7-22-19(14)15)13-18(17)26-11-5-10-24-8-2-3-9-24;1-24-18-11-15-14-5-10-25-13-16(14)20(21)22-17(15)12-19(18)26-9-4-8-23-6-2-3-7-23/h2-4,8-9,16-17H,5-7,10-15,18H2,1H3;11-12,24H,4-10,13H2,1-3H3;6-7,12-13H,3-5,8-11H2,1-2H3;13-14,23H,2-12H2,1H3;4,6-7,12-13H,2-3,5,8-11H2,1H3;11-12H,2-10,13H2,1H3
InChIKeyFMDKVLRZIXMLIA-UHFFFAOYSA-N
MW2366.50 g/mol
LogP27.10
Rot. Bonds38

About 1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline

1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline (PubChem CID 158073945) has the molecular formula C129H157Cl6N17O13 and a molecular weight of 2366.50 g/mol. Its IUPAC name is 1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline.

Molecular Properties

Compound Name1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
PubChem CID158073945
Molecular FormulaC129H157Cl6N17O13
Molecular Weight2366.50 g/mol
Exact Mass2362.03
IUPAC Name1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
SMILESCOc1cc2c(cc1OCCCN1CCCC1)nc(Cl)c1ccc(C)nc12.COc1cc2c(cc1OCCCN1CCCC1)nc(Cl)c1cccnc12.COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)CC(C)(C)N3.COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)CCCCN3.COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)CCN3Cc1ccccc1.COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)COCC3
InChIInChI=1S/C26H30ClN3O2.C21H28ClN3O2.C21H24ClN3O2.C21H28ClN3O2.C20H22ClN3O2.C20H25ClN2O3/c1-31-23-16-21-22(17-24(23)32-15-7-13-29-11-5-6-12-29)28-26(27)20-10-14-30(25(20)21)18-19-8-3-2-4-9-19;1-21(2)13-15-19(24-21)14-11-17(26-3)18(12-16(14)23-20(15)22)27-10-6-9-25-7-4-5-8-25;1-14-6-7-15-20(23-14)16-12-18(26-2)19(13-17(16)24-21(15)22)27-11-5-10-25-8-3-4-9-25;1-26-18-13-16-17(24-21(22)15-7-2-3-8-23-20(15)16)14-19(18)27-12-6-11-25-9-4-5-10-25;1-25-17-12-15-16(23-20(21)14-6-4-7-22-19(14)15)13-18(17)26-11-5-10-24-8-2-3-9-24;1-24-18-11-15-14-5-10-25-13-16(14)20(21)22-17(15)12-19(18)26-9-4-8-23-6-2-3-7-23/h2-4,8-9,16-17H,5-7,10-15,18H2,1H3;11-12,24H,4-10,13H2,1-3H3;6-7,12-13H,3-5,8-11H2,1-2H3;13-14,23H,2-12H2,1H3;4,6-7,12-13H,2-3,5,8-11H2,1H3;11-12H,2-10,13H2,1H3
InChIKeyFMDKVLRZIXMLIA-UHFFFAOYSA-N
XLogP27.10
TPSA269.85 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds38
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002366.50
LogP ≤ 527.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline?
The IUPAC name of 1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline (CID 158073945) is 1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline.
What is the SMILES notation for 1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline?
The canonical SMILES for 1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline is COc1cc2c(cc1OCCCN1CCCC1)nc(Cl)c1ccc(C)nc12.COc1cc2c(cc1OCCCN1CCCC1)nc(Cl)c1cccnc12.COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)CC(C)(C)N3.COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)CCCCN3.COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)CCN3Cc1ccccc1.COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)COCC3.
What is the InChIKey of 1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline?
The InChIKey is FMDKVLRZIXMLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O2.C21H28ClN3O2.C21H24ClN3O2.C21H28ClN3O2.C20H22ClN3O2.C20H25ClN2O3/c1-31-23-16-21-22(17-24(23)32-15-7-13-29-11-5-6-12-29)28-26(27)20-10-14-30(25(20)21)18-19-8-3-2-4-9-19;1-21(2)13-15-19(24-21)14-11-17(26-3)18(12-16(14)23-20(15)22)27-10-6-9-25-7-4-5-8-25;1-14-6-7-15-20(23-14)16-12-18(26-2)19(13-17(16)24-21(15)22)27-11-5-10-25-8-3-4-9-25;1-26-18-13-16-17(24-21(22)15-7-2-3-8-23-20(15)16)14-19(18)27-12-6-11-25-9-4-5-10-25;1-25-17-12-15-16(23-20(21)14-6-4-7-22-19(14)15)13-18(17)26-11-5-10-24-8-2-3-9-24;1-24-18-11-15-14-5-10-25-13-16(14)20(21)22-17(15)12-19(18)26-9-4-8-23-6-2-3-7-23/h2-4,8-9,16-17H,5-7,10-15,18H2,1H3;11-12,24H,4-10,13H2,1-3H3;6-7,12-13H,3-5,8-11H2,1-2H3;13-14,23H,2-12H2,1H3;4,6-7,12-13H,2-3,5,8-11H2,1H3;11-12H,2-10,13H2,1H3.
What are the key properties of 1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline?
1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline has a molecular weight of 2366.50 g/mol, XLogP of 27.10, 38 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydropyrrolo[3,2-c]quinoline;4-chloro-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-chloro-9-methoxy-2-methyl-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[h][1,6]naphthyridine;5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline;6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline is sourced from PubChem (CID 158073945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).