3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide

C27H27N3O7 — CID 22423430

IUPAC3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccc(OC)c(OC)c4)ccc3c2=O)c(OC)c1
InChIInChI=1S/C27H27N3O7/c1-34-18-7-9-21(23(15-18)36-3)30-26(32)19-8-6-17(14-20(19)29-27(30)33)25(31)28-12-11-16-5-10-22(35-2)24(13-16)37-4/h5-10,13-15H,11-12H2,1-4H3,(H,28,31)(H,29,33)
InChIKeyPEVHXOMIUANABB-UHFFFAOYSA-N
MW505.53 g/mol
LogP2.69
Rot. Bonds9

About 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide

3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 22423430) has the molecular formula C27H27N3O7 and a molecular weight of 505.53 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID22423430
Molecular FormulaC27H27N3O7
Molecular Weight505.53 g/mol
Exact Mass505.18
IUPAC Name3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccc(OC)c(OC)c4)ccc3c2=O)c(OC)c1
InChIInChI=1S/C27H27N3O7/c1-34-18-7-9-21(23(15-18)36-3)30-26(32)19-8-6-17(14-20(19)29-27(30)33)25(31)28-12-11-16-5-10-22(35-2)24(13-16)37-4/h5-10,13-15H,11-12H2,1-4H3,(H,28,31)(H,29,33)
InChIKeyPEVHXOMIUANABB-UHFFFAOYSA-N
XLogP2.69
TPSA120.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.53
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-ethoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 3508708
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3237100
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 6621042
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560
N-butyl-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15988112
N-[(4-chlorophenyl)methyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 46209000
N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17412668
3-(4-methylphenyl)-2,4-dioxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-quinazoline-7-carboxamide
CID 22423581
methyl 3-[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
CID 46289182
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 119103707
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 22423430) is 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide is COc1ccc(-n2c(=O)[nH]c3cc(C(=O)NCCc4ccc(OC)c(OC)c4)ccc3c2=O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is PEVHXOMIUANABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O7/c1-34-18-7-9-21(23(15-18)36-3)30-26(32)19-8-6-17(14-20(19)29-27(30)33)25(31)28-12-11-16-5-10-22(35-2)24(13-16)37-4/h5-10,13-15H,11-12H2,1-4H3,(H,28,31)(H,29,33).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide?
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 505.53 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 22423430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).