1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone

C97H109ClF4N10O5 — CID 162134801

IUPAC1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone
SMILESCc1c(C(=O)CN2CCCCC2)cc2n1-c1ccc(F)cc1CC2.Cc1cc(C(=O)CN2CCCCC2)c2n1-c1ccc(F)cc1CC2.O=C(CN1CCCCC1)c1cc2n(c1)-c1ccc(F)cc1CC2.O=C(CN1CCCCC1)c1ccn2c1CCc1cc(Cl)ccc1-2.O=C(CN1CCCCC1)c1ccn2c1CCc1cc(F)ccc1-2
InChIInChI=1S/2C20H23FN2O.C19H21ClN2O.2C19H21FN2O/c1-14-18(20(24)13-22-9-3-2-4-10-22)12-17-7-5-15-11-16(21)6-8-19(15)23(14)17;1-14-11-17(20(24)13-22-9-3-2-4-10-22)19-7-5-15-12-16(21)6-8-18(15)23(14)19;2*20-15-5-7-17-14(12-15)4-6-18-16(8-11-22(17)18)19(23)13-21-9-2-1-3-10-21;20-16-5-7-18-14(10-16)4-6-17-11-15(12-22(17)18)19(23)13-21-8-2-1-3-9-21/h2*6,8,11-12H,2-5,7,9-10,13H2,1H3;2*5,7-8,11-12H,1-4,6,9-10,13H2;5,7,10-12H,1-4,6,8-9,13H2
InChIKeyZJDBRQKAXDZGGZ-UHFFFAOYSA-N
MW1606.45 g/mol
LogP18.05
Rot. Bonds15

About 1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone

1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone (PubChem CID 162134801) has the molecular formula C97H109ClF4N10O5 and a molecular weight of 1606.45 g/mol. Its IUPAC name is 1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone
PubChem CID162134801
Molecular FormulaC97H109ClF4N10O5
Molecular Weight1606.45 g/mol
Exact Mass1604.82
IUPAC Name1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone
SMILESCc1c(C(=O)CN2CCCCC2)cc2n1-c1ccc(F)cc1CC2.Cc1cc(C(=O)CN2CCCCC2)c2n1-c1ccc(F)cc1CC2.O=C(CN1CCCCC1)c1cc2n(c1)-c1ccc(F)cc1CC2.O=C(CN1CCCCC1)c1ccn2c1CCc1cc(Cl)ccc1-2.O=C(CN1CCCCC1)c1ccn2c1CCc1cc(F)ccc1-2
InChIInChI=1S/2C20H23FN2O.C19H21ClN2O.2C19H21FN2O/c1-14-18(20(24)13-22-9-3-2-4-10-22)12-17-7-5-15-11-16(21)6-8-19(15)23(14)17;1-14-11-17(20(24)13-22-9-3-2-4-10-22)19-7-5-15-12-16(21)6-8-18(15)23(14)19;2*20-15-5-7-17-14(12-15)4-6-18-16(8-11-22(17)18)19(23)13-21-9-2-1-3-10-21;20-16-5-7-18-14(10-16)4-6-17-11-15(12-22(17)18)19(23)13-21-8-2-1-3-9-21/h2*6,8,11-12H,2-5,7,9-10,13H2,1H3;2*5,7-8,11-12H,1-4,6,9-10,13H2;5,7,10-12H,1-4,6,8-9,13H2
InChIKeyZJDBRQKAXDZGGZ-UHFFFAOYSA-N
XLogP18.05
TPSA126.20 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001606.45
LogP ≤ 518.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone (CID 162134801) is 1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone is Cc1c(C(=O)CN2CCCCC2)cc2n1-c1ccc(F)cc1CC2.Cc1cc(C(=O)CN2CCCCC2)c2n1-c1ccc(F)cc1CC2.O=C(CN1CCCCC1)c1cc2n(c1)-c1ccc(F)cc1CC2.O=C(CN1CCCCC1)c1ccn2c1CCc1cc(Cl)ccc1-2.O=C(CN1CCCCC1)c1ccn2c1CCc1cc(F)ccc1-2.
What is the InChIKey of 1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone?
The InChIKey is ZJDBRQKAXDZGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H23FN2O.C19H21ClN2O.2C19H21FN2O/c1-14-18(20(24)13-22-9-3-2-4-10-22)12-17-7-5-15-11-16(21)6-8-19(15)23(14)17;1-14-11-17(20(24)13-22-9-3-2-4-10-22)19-7-5-15-12-16(21)6-8-18(15)23(14)19;2*20-15-5-7-17-14(12-15)4-6-18-16(8-11-22(17)18)19(23)13-21-9-2-1-3-10-21;20-16-5-7-18-14(10-16)4-6-17-11-15(12-22(17)18)19(23)13-21-8-2-1-3-9-21/h2*6,8,11-12H,2-5,7,9-10,13H2,1H3;2*5,7-8,11-12H,1-4,6,9-10,13H2;5,7,10-12H,1-4,6,8-9,13H2.
What are the key properties of 1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone?
1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone has a molecular weight of 1606.45 g/mol, XLogP of 18.05, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-2-yl)-2-piperidin-1-ylethanone;1-(7-fluoro-1-methyl-4,5-dihydropyrrolo[1,2-a]quinolin-3-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 162134801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).