5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine

C21H28ClN3O2 — CID 135155512

IUPAC5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine
SMILESCOc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)CN(C)CC3
InChIInChI=1S/C21H28ClN3O2/c1-24-10-6-15-16-12-19(26-2)20(13-18(16)23-21(22)17(15)14-24)27-11-5-9-25-7-3-4-8-25/h12-13H,3-11,14H2,1-2H3
InChIKeyGLADBGVAFNLMGF-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.75
Rot. Bonds6

About 5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine

5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine (PubChem CID 135155512) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine.

Molecular Properties

Compound Name5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine
PubChem CID135155512
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine
SMILESCOc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)CN(C)CC3
InChIInChI=1S/C21H28ClN3O2/c1-24-10-6-15-16-12-19(26-2)20(13-18(16)23-21(22)17(15)14-24)27-11-5-9-25-7-3-4-8-25/h12-13H,3-11,14H2,1-2H3
InChIKeyGLADBGVAFNLMGF-UHFFFAOYSA-N
XLogP3.75
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline
CID 135155249
4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one
CID 140883782
6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
CID 135155259
4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-3H-furo[3,4-c]quinolin-1-one
CID 140883775
6-chloro-2-methoxy-8-phenylmethoxy-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydrophenanthridine
CID 135155541
N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185248
N-[8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl]acetamide
CID 135185225
8-methoxy-N-(1-methylcyclopropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185060
9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine
CID 130345739
8-methoxy-N-(2-methylpropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185023
4-(4-fluorocyclohexyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135185179
8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135155449

Frequently Asked Questions

What is the IUPAC name of 5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine?
The IUPAC name of 5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine (CID 135155512) is 5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine.
What is the SMILES notation for 5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine?
The canonical SMILES for 5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine is COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)CN(C)CC3.
What is the InChIKey of 5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine?
The InChIKey is GLADBGVAFNLMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c1-24-10-6-15-16-12-19(26-2)20(13-18(16)23-21(22)17(15)14-24)27-11-5-9-25-7-3-4-8-25/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine?
5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine has a molecular weight of 389.93 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine is sourced from PubChem (CID 135155512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).