4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one

C14H14N2O2 — CID 91083572

IUPAC4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1cccc(O)c1)N=CN2
InChIInChI=1S/C14H14N2O2/c17-10-4-1-3-9(7-10)14-13-11(15-8-16-14)5-2-6-12(13)18/h1,3-4,7-8,14,17H,2,5-6H2,(H,15,16)
InChIKeyBTDFZQQBABCCDE-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.07
Rot. Bonds1

About 4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one

4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (PubChem CID 91083572) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
PubChem CID91083572
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one
SMILESO=C1CCCC2=C1C(c1cccc(O)c1)N=CN2
InChIInChI=1S/C14H14N2O2/c17-10-4-1-3-9(7-10)14-13-11(15-8-16-14)5-2-6-12(13)18/h1,3-4,7-8,14,17H,2,5-6H2,(H,15,16)
InChIKeyBTDFZQQBABCCDE-UHFFFAOYSA-N
XLogP2.07
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate
CID 135632986
2-(3-chlorophenyl)-9-(3-hydroxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 4625266
2-amino-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
CID 132518480
2-ethoxyethyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847940
pentyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847079
(9R)-2-benzylsulfanyl-9-(3-hydroxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135772326
9-(4-hydroxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 704566
(9R)-9-(3-hydroxyphenyl)-N-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136777343
(9R)-N-(3,4-dimethylphenyl)-9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136848643
7-(3-hydroxyphenyl)-7,9,10,11-tetrahydronaphtho[1,2-b]chromen-8-one
CID 46210279
(4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one
CID 6965989
(4S)-4-(3-hydroxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186127

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The IUPAC name of 4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one (CID 91083572) is 4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one.
What is the SMILES notation for 4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The canonical SMILES for 4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one is O=C1CCCC2=C1C(c1cccc(O)c1)N=CN2.
What is the InChIKey of 4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
The InChIKey is BTDFZQQBABCCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-10-4-1-3-9(7-10)14-13-11(15-8-16-14)5-2-6-12(13)18/h1,3-4,7-8,14,17H,2,5-6H2,(H,15,16).
What are the key properties of 4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one?
4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one has a molecular weight of 242.28 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-4,6,7,8-tetrahydro-1H-quinazolin-5-one is sourced from PubChem (CID 91083572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).