2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

C26H24N4O2 — CID 143539954

IUPAC2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCc1ccnc(NC(=O)C2c3ccccc3C(=O)N(C)C2c2cn(C)c3ccccc23)c1
InChIInChI=1S/C26H24N4O2/c1-16-12-13-27-22(14-16)28-25(31)23-18-9-4-5-10-19(18)26(32)30(3)24(23)20-15-29(2)21-11-7-6-8-17(20)21/h4-15,23-24H,1-3H3,(H,27,28,31)
InChIKeyWLZGARCMSDGRQK-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.43
Rot. Bonds3

About 2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 143539954) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID143539954
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCc1ccnc(NC(=O)C2c3ccccc3C(=O)N(C)C2c2cn(C)c3ccccc23)c1
InChIInChI=1S/C26H24N4O2/c1-16-12-13-27-22(14-16)28-25(31)23-18-9-4-5-10-19(18)26(32)30(3)24(23)20-15-29(2)21-11-7-6-8-17(20)21/h4-15,23-24H,1-3H3,(H,27,28,31)
InChIKeyWLZGARCMSDGRQK-UHFFFAOYSA-N
XLogP4.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 53206556
2-methyl-3-(1-methylindol-3-yl)-1-oxo-N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 71168881
N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 53206560
N-butan-2-yl-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 71169034
(3S,4R)-2-methyl-1-oxo-3-phenyl-N-pyridin-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 51718468
(3R,4S)-N-(2-bromo-4-methylphenyl)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 94850577
N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 143540075
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one
CID 71169040
4-(4-benzylpiperazine-1-carbonyl)-2-methyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one
CID 71168944
(3R,4S)-3-(3,4-dimethoxyphenyl)-2-methyl-1-oxo-N-pyridin-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 51971210
2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 143540174
(3S,4R)-2-methyl-1-oxo-3-phenyl-N-(1,3-thiazol-2-yl)-3,4-dihydroisoquinoline-4-carboxamide
CID 51718724

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CID 143539954) is 2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is Cc1ccnc(NC(=O)C2c3ccccc3C(=O)N(C)C2c2cn(C)c3ccccc23)c1.
What is the InChIKey of 2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is WLZGARCMSDGRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-16-12-13-27-22(14-16)28-25(31)23-18-9-4-5-10-19(18)26(32)30(3)24(23)20-15-29(2)21-11-7-6-8-17(20)21/h4-15,23-24H,1-3H3,(H,27,28,31).
What are the key properties of 2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 143539954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).