N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide

C24H19ClN2O3 — CID 6625975

IUPACN-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)NCc3ccccc3Cl)c3ccccc3c2=O)c1
InChIInChI=1S/C24H19ClN2O3/c1-30-18-9-6-8-17(13-18)27-15-21(19-10-3-4-11-20(19)24(27)29)23(28)26-14-16-7-2-5-12-22(16)25/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyKFDNJJUMUFBKKK-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.58
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide (PubChem CID 6625975) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
PubChem CID6625975
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)NCc3ccccc3Cl)c3ccccc3c2=O)c1
InChIInChI=1S/C24H19ClN2O3/c1-30-18-9-6-8-17(13-18)27-15-21(19-10-3-4-11-20(19)24(27)29)23(28)26-14-16-7-2-5-12-22(16)25/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyKFDNJJUMUFBKKK-UHFFFAOYSA-N
XLogP4.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 3242980
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549821
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-(3-ethylphenyl)-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549816
methyl 4-[[2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carbonyl]amino]benzoate
CID 22549874
3-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027123
2-(3-methoxyphenyl)-1-oxo-N-pyridin-3-ylisoquinoline-4-carboxamide
CID 6625931
N-(2-cyanophenyl)-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 46273520
N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 126478731
2-(3-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-1-oxoisoquinoline-4-carboxamide
CID 22549822
2-(3-methoxyphenyl)-1-oxo-N-(1,3-thiazol-2-yl)isoquinoline-4-carboxamide
CID 126459305
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide (CID 6625975) is N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide is COc1cccc(-n2cc(C(=O)NCc3ccccc3Cl)c3ccccc3c2=O)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide?
The InChIKey is KFDNJJUMUFBKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-30-18-9-6-8-17(13-18)27-15-21(19-10-3-4-11-20(19)24(27)29)23(28)26-14-16-7-2-5-12-22(16)25/h2-13,15H,14H2,1H3,(H,26,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 6625975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).