N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide

C25H20N4O2 — CID 166220278

IUPACN-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCN1CCc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cc2C1=O
InChIInChI=1S/C25H20N4O2/c1-29-13-11-16-9-10-17(14-19(16)25(29)31)27-24(30)20-15-23(22-8-4-5-12-26-22)28-21-7-3-2-6-18(20)21/h2-10,12,14-15H,11,13H2,1H3,(H,27,30)
InChIKeyIGEPYVXVCPESBS-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.18
Rot. Bonds3

About N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 166220278) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID166220278
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCN1CCc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cc2C1=O
InChIInChI=1S/C25H20N4O2/c1-29-13-11-16-9-10-17(14-19(16)25(29)31)27-24(30)20-15-23(22-8-4-5-12-26-22)28-21-7-3-2-6-18(20)21/h2-10,12,14-15H,11,13H2,1H3,(H,27,30)
InChIKeyIGEPYVXVCPESBS-UHFFFAOYSA-N
XLogP4.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 30494390
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 166232237
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 27649831
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 167888413
N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1257102
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520
N-phenyl-2-pyrimidin-4-ylquinoline-4-carboxamide
CID 56946178
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 166220278) is N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide is CN1CCc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cc2C1=O.
What is the InChIKey of N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is IGEPYVXVCPESBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-29-13-11-16-9-10-17(14-19(16)25(29)31)27-24(30)20-15-23(22-8-4-5-12-26-22)28-21-7-3-2-6-18(20)21/h2-10,12,14-15H,11,13H2,1H3,(H,27,30).
What are the key properties of N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 166220278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).