(3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C21H20N2O4 — CID 95050083

IUPAC(3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)Nc1ccc(OC)c3ncccc13)C2
InChIInChI=1S/C21H20N2O4/c1-25-15-6-5-13-10-14(12-27-19(13)11-15)21(24)23-17-7-8-18(26-2)20-16(17)4-3-9-22-20/h3-9,11,14H,10,12H2,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyJETKMXHUNLKDQC-AWEZNQCLSA-N
MW364.40 g/mol
LogP3.44
Rot. Bonds4

About (3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 95050083) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID95050083
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)Nc1ccc(OC)c3ncccc13)C2
InChIInChI=1S/C21H20N2O4/c1-25-15-6-5-13-10-14(12-27-19(13)11-15)21(24)23-17-7-8-18(26-2)20-16(17)4-3-9-22-20/h3-9,11,14H,10,12H2,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyJETKMXHUNLKDQC-AWEZNQCLSA-N
XLogP3.44
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

7-methoxy-N-pyridin-3-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49158782
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
7-methoxy-N-(5-oxo-1,4-dihydroimidazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49263413
2-(4-methoxyphenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823047
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
5-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 166255735
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72885940
(3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97124753
(3S)-N-[2-(4-fluorophenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050059
(3S)-6-methoxy-N-[4-(1H-pyrazol-4-yl)-2-pyridin-3-yloxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 124566182
6-methoxy-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 139003442

Frequently Asked Questions

What is the IUPAC name of (3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 95050083) is (3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OC[C@@H](C(=O)Nc1ccc(OC)c3ncccc13)C2.
What is the InChIKey of (3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is JETKMXHUNLKDQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-25-15-6-5-13-10-14(12-27-19(13)11-15)21(24)23-17-7-8-18(26-2)20-16(17)4-3-9-22-20/h3-9,11,14H,10,12H2,1-2H3,(H,23,24)/t14-/m0/s1.
What are the key properties of (3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 95050083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).