7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one

C19H18N2O3 — CID 91021139

IUPAC7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(-n3c(O)c4c(c3O)[C@H]3CC[C@@H]4C3)ccc12
InChIInChI=1S/C19H18N2O3/c1-9-6-15(22)20-14-8-12(4-5-13(9)14)21-18(23)16-10-2-3-11(7-10)17(16)19(21)24/h4-6,8,10-11,23-24H,2-3,7H2,1H3,(H,20,22)/t10-,11+
InChIKeyAPLDCJXWLNDSKV-PHIMTYICSA-N
MW322.36 g/mol
LogP3.40
Rot. Bonds1

About 7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one

7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one (PubChem CID 91021139) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one
PubChem CID91021139
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(-n3c(O)c4c(c3O)[C@H]3CC[C@@H]4C3)ccc12
InChIInChI=1S/C19H18N2O3/c1-9-6-15(22)20-14-8-12(4-5-13(9)14)21-18(23)16-10-2-3-11(7-10)17(16)19(21)24/h4-6,8,10-11,23-24H,2-3,7H2,1H3,(H,20,22)/t10-,11+
InChIKeyAPLDCJXWLNDSKV-PHIMTYICSA-N
XLogP3.40
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one?
The IUPAC name of 7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one (CID 91021139) is 7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2cc(-n3c(O)c4c(c3O)[C@H]3CC[C@@H]4C3)ccc12.
What is the InChIKey of 7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one?
The InChIKey is APLDCJXWLNDSKV-PHIMTYICSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-9-6-15(22)20-14-8-12(4-5-13(9)14)21-18(23)16-10-2-3-11(7-10)17(16)19(21)24/h4-6,8,10-11,23-24H,2-3,7H2,1H3,(H,20,22)/t10-,11+.
What are the key properties of 7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one?
7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one has a molecular weight of 322.36 g/mol, XLogP of 3.40, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,7S)-3,5-dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 91021139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).