2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one

C18H19N3O2 — CID 137267444

IUPAC2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
SMILESCC(O)(CCNc1nc2ccccc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-18(23,13-7-3-2-4-8-13)11-12-19-17-20-15-10-6-5-9-14(15)16(22)21-17/h2-10,23H,11-12H2,1H3,(H2,19,20,21,22)
InChIKeyCIIOSEWVPLNAJF-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.63
Rot. Bonds5

About 2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one

2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one (PubChem CID 137267444) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
PubChem CID137267444
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
SMILESCC(O)(CCNc1nc2ccccc2c(=O)[nH]1)c1ccccc1
InChIInChI=1S/C18H19N3O2/c1-18(23,13-7-3-2-4-8-13)11-12-19-17-20-15-10-6-5-9-14(15)16(22)21-17/h2-10,23H,11-12H2,1H3,(H2,19,20,21,22)
InChIKeyCIIOSEWVPLNAJF-UHFFFAOYSA-N
XLogP2.63
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
CID 137273780
2-(5-methoxypentylamino)-3H-quinazolin-4-one
CID 137264454
2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one
CID 137266334
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137264057
2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 137257492
2-(3,3-dimethyl-2-oxobutyl)-3H-quinazolin-4-one
CID 139894083
4-chloro-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]benzamide
CID 137264161
2-[3-(2-hydroxycyclohexyl)propylamino]-3H-quinazolin-4-one
CID 137265029
N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide
CID 136666096
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one (CID 137267444) is 2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one is CC(O)(CCNc1nc2ccccc2c(=O)[nH]1)c1ccccc1.
What is the InChIKey of 2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one?
The InChIKey is CIIOSEWVPLNAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18(23,13-7-3-2-4-8-13)11-12-19-17-20-15-10-6-5-9-14(15)16(22)21-17/h2-10,23H,11-12H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one?
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one has a molecular weight of 309.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 137267444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).