7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one

C19H19N3O3 — CID 176504288

IUPAC7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one
SMILESCOc1ccc2[nH]c(C(=O)N3CCc4cc(=O)n(C)cc4C3)cc2c1
InChIInChI=1S/C19H19N3O3/c1-21-10-14-11-22(6-5-12(14)9-18(21)23)19(24)17-8-13-7-15(25-2)3-4-16(13)20-17/h3-4,7-10,20H,5-6,11H2,1-2H3
InChIKeyTUPJKERGUXHHMQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.07
Rot. Bonds2

About 7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one

7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one (PubChem CID 176504288) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one
PubChem CID176504288
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one
SMILESCOc1ccc2[nH]c(C(=O)N3CCc4cc(=O)n(C)cc4C3)cc2c1
InChIInChI=1S/C19H19N3O3/c1-21-10-14-11-22(6-5-12(14)9-18(21)23)19(24)17-8-13-7-15(25-2)3-4-16(13)20-17/h3-4,7-10,20H,5-6,11H2,1-2H3
InChIKeyTUPJKERGUXHHMQ-UHFFFAOYSA-N
XLogP2.07
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one with MolForge

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Related Compounds

5-(7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-1H-imidazol-2-one
CID 138034204
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone
CID 27515136
(3,4-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013211
(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013228
(6-methoxy-1H-indol-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38488127
2-[(3R,4S)-4-hydroxy-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 154567698
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2742916
(4,6-dimethoxy-1H-indol-2-yl)-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 46970719
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
(6S)-1-benzyl-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600652
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1H-indol-2-yl)methanone
CID 113205451
(5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 67867873

Frequently Asked Questions

What is the IUPAC name of 7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one?
The IUPAC name of 7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one (CID 176504288) is 7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one.
What is the SMILES notation for 7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one?
The canonical SMILES for 7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one is COc1ccc2[nH]c(C(=O)N3CCc4cc(=O)n(C)cc4C3)cc2c1.
What is the InChIKey of 7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one?
The InChIKey is TUPJKERGUXHHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-21-10-14-11-22(6-5-12(14)9-18(21)23)19(24)17-8-13-7-15(25-2)3-4-16(13)20-17/h3-4,7-10,20H,5-6,11H2,1-2H3.
What are the key properties of 7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one?
7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one has a molecular weight of 337.38 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methoxy-1H-indole-2-carbonyl)-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one is sourced from PubChem (CID 176504288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).