2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one

C14H15N3O — CID 132518480

IUPAC2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESNC1=NC(c2ccccc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C14H15N3O/c15-14-16-10-7-4-8-11(18)12(10)13(17-14)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H3,15,16,17)
InChIKeyCNELWPJLGNANRD-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.65
Rot. Bonds1

About 2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one

2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (PubChem CID 132518480) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
PubChem CID132518480
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESNC1=NC(c2ccccc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C14H15N3O/c15-14-16-10-7-4-8-11(18)12(10)13(17-14)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H3,15,16,17)
InChIKeyCNELWPJLGNANRD-UHFFFAOYSA-N
XLogP1.65
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135600732
9-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 5060101
5-phenyl-2-sulfanylidene-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 4167417
2-(1,3-benzoxazol-2-ylamino)-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 46926019
(4R)-2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 7325304
(4S)-2-(1,3-benzothiazol-2-ylamino)-4-(4-methylphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 7325302
9-(4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 23248494
ethyl 2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2763934
2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 19958906
4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 91083572
9-(4-hydroxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 704566
4-amino-2-morpholin-4-yl-5-phenyl-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-6-one
CID 17198450

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The IUPAC name of 2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one (CID 132518480) is 2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one.
What is the SMILES notation for 2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The canonical SMILES for 2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is NC1=NC(c2ccccc2)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The InChIKey is CNELWPJLGNANRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14-16-10-7-4-8-11(18)12(10)13(17-14)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H3,15,16,17).
What are the key properties of 2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one has a molecular weight of 241.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one is sourced from PubChem (CID 132518480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).