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

C17H17N3O3 — CID 175457564

IUPAC(1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde
SMILESCOc1cccc2c1ncc1[nH]c(=O)n(C3CC[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?/m0/s1
InChIKeyJMQIKLKWTSXKJI-VUWPPUDQSA-N
MW311.34 g/mol
LogP2.43
Rot. Bonds3

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

(1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde (PubChem CID 175457564) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde
PubChem CID175457564
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde
SMILESCOc1cccc2c1ncc1[nH]c(=O)n(C3CC[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?/m0/s1
InChIKeyJMQIKLKWTSXKJI-VUWPPUDQSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde?
The IUPAC name of (1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde (CID 175457564) is (1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for (1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde?
The canonical SMILES for (1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde is COc1cccc2c1ncc1[nH]c(=O)n(C3CC[C@H](C=O)C3)c12.
What is the InChIKey of (1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde?
The InChIKey is JMQIKLKWTSXKJI-VUWPPUDQSA-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?/m0/s1.
What are the key properties of (1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde?
(1S)-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 (1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 175457564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).