N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide

C24H19ClN2O5 — CID 137126440

IUPACN-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(O)n(OCc3ccccc3)c(=O)c3ccccc23)cc1Cl
InChIInChI=1S/C24H19ClN2O5/c1-31-20-12-11-16(13-19(20)25)26-22(28)21-17-9-5-6-10-18(17)23(29)27(24(21)30)32-14-15-7-3-2-4-8-15/h2-13,30H,14H2,1H3,(H,26,28)
InChIKeyUIAKNSFTOVPOTN-UHFFFAOYSA-N
MW450.88 g/mol
LogP4.25
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide (PubChem CID 137126440) has the molecular formula C24H19ClN2O5 and a molecular weight of 450.88 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide
PubChem CID137126440
Molecular FormulaC24H19ClN2O5
Molecular Weight450.88 g/mol
Exact Mass450.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(O)n(OCc3ccccc3)c(=O)c3ccccc23)cc1Cl
InChIInChI=1S/C24H19ClN2O5/c1-31-20-12-11-16(13-19(20)25)26-22(28)21-17-9-5-6-10-18(17)23(29)27(24(21)30)32-14-15-7-3-2-4-8-15/h2-13,30H,14H2,1H3,(H,26,28)
InChIKeyUIAKNSFTOVPOTN-UHFFFAOYSA-N
XLogP4.25
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2712877
2-[(3-chloro-4-phenylmethoxyphenyl)carbamoyl]-3,4,5,6-tetrafluorobenzoic acid
CID 51036938
N-(3-chloro-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2713554
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
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N-(3-chloro-4-methoxyphenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4908651
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CID 28712195
2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 24559562
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
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CID 17428367

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide (CID 137126440) is N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide is COc1ccc(NC(=O)c2c(O)n(OCc3ccccc3)c(=O)c3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide?
The InChIKey is UIAKNSFTOVPOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5/c1-31-20-12-11-16(13-19(20)25)26-22(28)21-17-9-5-6-10-18(17)23(29)27(24(21)30)32-14-15-7-3-2-4-8-15/h2-13,30H,14H2,1H3,(H,26,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide has a molecular weight of 450.88 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide is sourced from PubChem (CID 137126440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).