N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide

C15H19N3O3 — CID 136829251

IUPACN-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H19N3O3/c1-15(2,3)11(8-19)17-14(21)12-16-10-7-5-4-6-9(10)13(20)18-12/h4-7,11,19H,8H2,1-3H3,(H,17,21)(H,16,18,20)/t11-/m1/s1
InChIKeyIWGBNQJPGHCISC-LLVKDONJSA-N
MW289.33 g/mol
LogP1.06
Rot. Bonds3

About N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide

N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 136829251) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID136829251
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H19N3O3/c1-15(2,3)11(8-19)17-14(21)12-16-10-7-5-4-6-9(10)13(20)18-12/h4-7,11,19H,8H2,1-3H3,(H,17,21)(H,16,18,20)/t11-/m1/s1
InChIKeyIWGBNQJPGHCISC-LLVKDONJSA-N
XLogP1.06
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136759238
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136920277
ethyl (2R,3R)-2-methyl-3-[(4-oxo-3H-quinazoline-2-carbonyl)amino]butanoate
CID 136718552
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136802083
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136790311
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136837271
N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136782968
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-oxo-3H-quinazoline-2-carbothioamide
CID 135722019

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide (CID 136829251) is N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide is CC(C)(C)[C@@H](CO)NC(=O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is IWGBNQJPGHCISC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(2,3)11(8-19)17-14(21)12-16-10-7-5-4-6-9(10)13(20)18-12/h4-7,11,19H,8H2,1-3H3,(H,17,21)(H,16,18,20)/t11-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide?
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 136829251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).