cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde

C17H17N3O3 — CID 166527046

IUPACcis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde
SMILESCOc1cccc2c1ncc1[nH]c(=O)n([C@H]3CC[C@@H](C=O)C3)c12
InChIInChI=1S/C17H17N3O3/c1-23-14-4-2-3-12-15(14)18-8-13-16(12)20(17(22)19-13)11-6-5-10(7-11)9-21/h2-4,8-11H,5-7H2,1H3,(H,19,22)/t10-,11+/m1/s1
InChIKeyJMQIKLKWTSXKJI-MNOVXSKESA-N
MW311.34 g/mol
LogP2.43
Rot. Bonds3

About cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde

cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde (PubChem CID 166527046) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde
PubChem CID166527046
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Namecis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde
SMILESCOc1cccc2c1ncc1[nH]c(=O)n([C@H]3CC[C@@H](C=O)C3)c12
InChIInChI=1S/C17H17N3O3/c1-23-14-4-2-3-12-15(14)18-8-13-16(12)20(17(22)19-13)11-6-5-10(7-11)9-21/h2-4,8-11H,5-7H2,1H3,(H,19,22)/t10-,11+/m1/s1
InChIKeyJMQIKLKWTSXKJI-MNOVXSKESA-N
XLogP2.43
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde
CID 175457564
3-cyclobutyl-4-methoxy-1H-benzimidazol-2-one
CID 117209284
8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 123265090
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
1-cyclopentyl-7-methoxy-3-thiophen-2-ylpyrimido[5,4-c]quinoline-2,4-dione
CID 58329396
8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118523399
3-(2-chlorophenyl)-7-methoxy-1-(4-methylcyclohexyl)pyrimido[5,4-c]quinoline-2,4-dione
CID 58329438
7-methoxy-1-(4-methylcyclohexyl)-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione
CID 58329378
1-cyclopentyl-7-methoxy-3-(3-methylphenyl)pyrimido[5,4-c]quinoline-2,4-dione
CID 58329436
1-[1-(8-methoxy-3-methylquinolin-4-yl)piperidin-4-yl]imidazolidin-2-one
CID 91651269
3-(3-chlorophenyl)-1-cyclohexyl-7-methoxypyrimido[5,4-c]quinoline-2,4-dione
CID 58329474
3-[(1R,3S)-3-(4-oxo-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl)cyclohexyl]prop-2-enoic acid
CID 91058422

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde?
The IUPAC name of cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde (CID 166527046) is cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde?
The canonical SMILES for cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde is COc1cccc2c1ncc1[nH]c(=O)n([C@H]3CC[C@@H](C=O)C3)c12.
What is the InChIKey of cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde?
The InChIKey is JMQIKLKWTSXKJI-MNOVXSKESA-N. The full InChI is InChI=1S/C17H17N3O3/c1-23-14-4-2-3-12-15(14)18-8-13-16(12)20(17(22)19-13)11-6-5-10(7-11)9-21/h2-4,8-11H,5-7H2,1H3,(H,19,22)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde?
cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde has a molecular weight of 311.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 166527046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).