3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide

C20H21N3O3 — CID 39314202

IUPAC3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NCC(C)C)ccc3c2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-13(2)11-21-19(24)14-4-9-17-18(10-14)22-12-23(20(17)25)15-5-7-16(26-3)8-6-15/h4-10,12-13H,11H2,1-3H3,(H,21,24)
InChIKeyNNPQKTUVAFDRCO-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.78
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide

3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide (PubChem CID 39314202) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
PubChem CID39314202
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NCC(C)C)ccc3c2=O)cc1
InChIInChI=1S/C20H21N3O3/c1-13(2)11-21-19(24)14-4-9-17-18(10-14)22-12-23(20(17)25)15-5-7-16(26-3)8-6-15/h4-10,12-13H,11H2,1-3H3,(H,21,24)
InChIKeyNNPQKTUVAFDRCO-UHFFFAOYSA-N
XLogP2.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024
N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide
CID 4087961
3-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 46284325
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39340542
6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 118722445
N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24641669
N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39313240
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
7-methoxy-N-(2-methylpropyl)quinoline-3-carboxamide
CID 110489915
2-[(4-chlorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 46362158

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide (CID 39314202) is 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide is COc1ccc(-n2cnc3cc(C(=O)NCC(C)C)ccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide?
The InChIKey is NNPQKTUVAFDRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(2)11-21-19(24)14-4-9-17-18(10-14)22-12-23(20(17)25)15-5-7-16(26-3)8-6-15/h4-10,12-13H,11H2,1-3H3,(H,21,24).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide?
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 39314202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).