4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide

C23H27N3O4 — CID 4047900

IUPAC4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCOc1cccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NC2CCCCC2C)c1
InChIInChI=1S/C23H27N3O4/c1-15-8-3-5-12-19(15)24-21(27)23(29)18-11-4-6-13-20(18)25-22(28)26(23)16-9-7-10-17(14-16)30-2/h4,6-7,9-11,13-15,19,29H,3,5,8,12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLWARLWXGJKLYNO-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.59
Rot. Bonds4

About 4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide

4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 4047900) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound Name4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID4047900
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCOc1cccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NC2CCCCC2C)c1
InChIInChI=1S/C23H27N3O4/c1-15-8-3-5-12-19(15)24-21(27)23(29)18-11-4-6-13-20(18)25-22(28)26(23)16-9-7-10-17(14-16)30-2/h4,6-7,9-11,13-15,19,29H,3,5,8,12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyLWARLWXGJKLYNO-UHFFFAOYSA-N
XLogP3.59
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(3,4-dichlorophenyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 124772818
N-butyl-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 5213688
(4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 92653839
(11R)-10-(3-methoxyphenyl)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 129420286
N-cyclopropyl-3-(4-ethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 3490664
(4S)-6-bromo-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 92653846
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8592209
2-[[6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl-dimethylazanium
CID 4057809
6-bromo-3-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 3301025
(4S)-6-bromo-3-(4-chlorophenyl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 99735762
(4R)-3-(2,4-dimethoxyphenyl)-4-hydroxy-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 93156073
6-bromo-N-[2-(diethylamino)ethyl]-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 3470586

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of 4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide (CID 4047900) is 4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for 4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for 4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide is COc1cccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NC2CCCCC2C)c1.
What is the InChIKey of 4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is LWARLWXGJKLYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15-8-3-5-12-19(15)24-21(27)23(29)18-11-4-6-13-20(18)25-22(28)26(23)16-9-7-10-17(14-16)30-2/h4,6-7,9-11,13-15,19,29H,3,5,8,12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide?
4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-methoxyphenyl)-N-(2-methylcyclohexyl)-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 4047900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).