7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C17H14ClN3OS — CID 108799640

IUPAC7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCc1cnc(NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)s1
InChIInChI=1S/C17H14ClN3OS/c1-9-8-19-17(23-9)21-16(22)15-11-3-2-4-13(11)20-14-6-5-10(18)7-12(14)15/h5-8H,2-4H2,1H3,(H,19,21,22)
InChIKeyAKHHKWDLRPUOIK-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.39
Rot. Bonds2

About 7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 108799640) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID108799640
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCc1cnc(NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)s1
InChIInChI=1S/C17H14ClN3OS/c1-9-8-19-17(23-9)21-16(22)15-11-3-2-4-13(11)20-14-6-5-10(18)7-12(14)15/h5-8H,2-4H2,1H3,(H,19,21,22)
InChIKeyAKHHKWDLRPUOIK-UHFFFAOYSA-N
XLogP4.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide with MolForge

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Related Compounds

7-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 26197572
N-(1,3-benzothiazol-2-yl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799492
7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799662
7-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799665
7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108809760
7-chloro-N-(3-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799652
7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799513
7-chloro-N-(2-hydroxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799537
7-chloro-N-(4-ethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799663
7-chloro-N-(2,6-diethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786468
7-chloro-N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799495
7-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799595

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of 7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 108799640) is 7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for 7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for 7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is Cc1cnc(NC(=O)c2c3c(nc4ccc(Cl)cc24)CCC3)s1.
What is the InChIKey of 7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is AKHHKWDLRPUOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-9-8-19-17(23-9)21-16(22)15-11-3-2-4-13(11)20-14-6-5-10(18)7-12(14)15/h5-8H,2-4H2,1H3,(H,19,21,22).
What are the key properties of 7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 108799640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).