N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide

C17H17N3O4 — CID 136802083

IUPACN-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCC(CC(O)c1ccco1)NC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H17N3O4/c1-10(9-13(21)14-7-4-8-24-14)18-17(23)15-19-12-6-3-2-5-11(12)16(22)20-15/h2-8,10,13,21H,9H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyZFEZYHMYNVPPEA-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.76
Rot. Bonds5

About N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide

N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 136802083) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID136802083
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCC(CC(O)c1ccco1)NC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H17N3O4/c1-10(9-13(21)14-7-4-8-24-14)18-17(23)15-19-12-6-3-2-5-11(12)16(22)20-15/h2-8,10,13,21H,9H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyZFEZYHMYNVPPEA-UHFFFAOYSA-N
XLogP1.76
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-phenylfuran-2-carboxamide
CID 97247610
N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136790311
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136829251
ethyl (2R,3R)-2-methyl-3-[(4-oxo-3H-quinazoline-2-carbonyl)amino]butanoate
CID 136718552
(2S)-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-2-hydroxy-2-phenylacetamide
CID 99589419
2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751357
1-(1,3-benzothiazol-2-ylmethyl)-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225104
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
1-(1,3-benzothiazol-2-yl)-3-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97224822

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide (CID 136802083) is N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide is CC(CC(O)c1ccco1)NC(=O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is ZFEZYHMYNVPPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-10(9-13(21)14-7-4-8-24-14)18-17(23)15-19-12-6-3-2-5-11(12)16(22)20-15/h2-8,10,13,21H,9H2,1H3,(H,18,23)(H,19,20,22).
What are the key properties of N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide?
N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-4-hydroxybutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 136802083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).