7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C27H19ClN4OS — CID 108809764

IUPAC7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C27H19ClN4OS/c28-17-10-11-22-20(14-17)25(19-7-4-9-21(19)31-22)26(33)30-18-6-3-5-16(13-18)24-15-34-27(32-24)23-8-1-2-12-29-23/h1-3,5-6,8,10-15H,4,7,9H2,(H,30,33)
InChIKeyFRNVZTQJMXGLRT-UHFFFAOYSA-N
MW483.00 g/mol
LogP6.81
Rot. Bonds4

About 7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 108809764) has the molecular formula C27H19ClN4OS and a molecular weight of 483.00 g/mol. Its IUPAC name is 7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID108809764
Molecular FormulaC27H19ClN4OS
Molecular Weight483.00 g/mol
Exact Mass482.10
IUPAC Name7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C27H19ClN4OS/c28-17-10-11-22-20(14-17)25(19-7-4-9-21(19)31-22)26(33)30-18-6-3-5-16(13-18)24-15-34-27(32-24)23-8-1-2-12-29-23/h1-3,5-6,8,10-15H,4,7,9H2,(H,30,33)
InChIKeyFRNVZTQJMXGLRT-UHFFFAOYSA-N
XLogP6.81
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.00
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide with MolForge

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Related Compounds

N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
7-chloro-N-(3-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799652
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
7-chloro-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786566
4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748532
7-chloro-N-(2-hydroxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799537
N-(1,3-benzothiazol-2-yl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799492
7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799559
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
7-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799665

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of 7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 108809764) is 7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for 7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for 7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is O=C(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1c2c(nc3ccc(Cl)cc13)CCC2.
What is the InChIKey of 7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is FRNVZTQJMXGLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN4OS/c28-17-10-11-22-20(14-17)25(19-7-4-9-21(19)31-22)26(33)30-18-6-3-5-16(13-18)24-15-34-27(32-24)23-8-1-2-12-29-23/h1-3,5-6,8,10-15H,4,7,9H2,(H,30,33).
What are the key properties of 7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 483.00 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 108809764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).