7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C17H13ClN4O2 — CID 108799513

IUPAC7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(Nc1ccnc(=O)[nH]1)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C17H13ClN4O2/c18-9-4-5-13-11(8-9)15(10-2-1-3-12(10)20-13)16(23)21-14-6-7-19-17(24)22-14/h4-8H,1-3H2,(H2,19,21,22,23,24)
InChIKeyRSWUZZIAZXVOEO-UHFFFAOYSA-N
MW340.77 g/mol
LogP2.71
Rot. Bonds2

About 7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 108799513) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID108799513
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESO=C(Nc1ccnc(=O)[nH]1)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C17H13ClN4O2/c18-9-4-5-13-11(8-9)15(10-2-1-3-12(10)20-13)16(23)21-14-6-7-19-17(24)22-14/h4-8H,1-3H2,(H2,19,21,22,23,24)
InChIKeyRSWUZZIAZXVOEO-UHFFFAOYSA-N
XLogP2.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide with MolForge

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Related Compounds

7-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799640
7-chloro-N-(2-hydroxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799537
7-chloro-N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799495
7-chloro-N-(4-ethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799663
7-chloro-N-(3-methylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799652
7-chloro-N-(2,6-diethylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786468
7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799559
7-chloro-N-(5-hydroxypentyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786527
N-(1,3-benzothiazol-2-yl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799492
7-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799665
7-chloro-N-(2-propan-2-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108786414
N-(2-acetamidoethyl)-7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799636

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of 7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 108799513) is 7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for 7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for 7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is O=C(Nc1ccnc(=O)[nH]1)c1c2c(nc3ccc(Cl)cc13)CCC2.
What is the InChIKey of 7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is RSWUZZIAZXVOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c18-9-4-5-13-11(8-9)15(10-2-1-3-12(10)20-13)16(23)21-14-6-7-19-17(24)22-14/h4-8H,1-3H2,(H2,19,21,22,23,24).
What are the key properties of 7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 340.77 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-oxo-1H-pyrimidin-6-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 108799513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).