N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide

C15H19N3O3 — CID 136790311

IUPACN-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H19N3O3/c1-9(2)7-10(19)8-16-15(21)13-17-12-6-4-3-5-11(12)14(20)18-13/h3-6,9-10,19H,7-8H2,1-2H3,(H,16,21)(H,17,18,20)
InChIKeyLJDBCNNYOWGLPQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.06
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide

N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 136790311) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID136790311
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H19N3O3/c1-9(2)7-10(19)8-16-15(21)13-17-12-6-4-3-5-11(12)14(20)18-13/h3-6,9-10,19H,7-8H2,1-2H3,(H,16,21)(H,17,18,20)
InChIKeyLJDBCNNYOWGLPQ-UHFFFAOYSA-N
XLogP1.06
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136759246
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136759238
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136818121
N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136802083
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135654390
N-[3-[(2-bromobenzoyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658213
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136829251
N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629285

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide (CID 136790311) is N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide is CC(C)CC(O)CNC(=O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is LJDBCNNYOWGLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)7-10(19)8-16-15(21)13-17-12-6-4-3-5-11(12)14(20)18-13/h3-6,9-10,19H,7-8H2,1-2H3,(H,16,21)(H,17,18,20).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide?
N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 136790311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).