N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide

C24H21N3O4 — CID 24546655

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H21N3O4/c1-26(15-17-8-6-7-11-21(17)31-2)22(28)16-12-13-19-20(14-16)25-24(30)27(23(19)29)18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,25,30)
InChIKeyAWWBPVWQZVMIIF-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.96
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide

N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (PubChem CID 24546655) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
PubChem CID24546655
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H21N3O4/c1-26(15-17-8-6-7-11-21(17)31-2)22(28)16-12-13-19-20(14-16)25-24(30)27(23(19)29)18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,25,30)
InChIKeyAWWBPVWQZVMIIF-UHFFFAOYSA-N
XLogP2.96
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methoxy-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17445259
N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17412668
2,4-dioxo-3-phenyl-N-prop-2-ynyl-1H-quinazoline-7-carboxamide
CID 17434509
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide
CID 60978582
N-methyl-N-(1-methylsulfonylpyrrolidin-3-yl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 166197996
N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 110733002
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
N-[(2-methoxyphenyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 27824435
N-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 134012744

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (CID 24546655) is N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is COc1ccccc1CN(C)C(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The InChIKey is AWWBPVWQZVMIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-26(15-17-8-6-7-11-21(17)31-2)22(28)16-12-13-19-20(14-16)25-24(30)27(23(19)29)18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,25,30).
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 24546655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).