3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one

C16H20N2O — CID 5039234

IUPAC3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one
SMILESO=C1CCCC2=C1CN(CCc1ccccc1)CN2
InChIInChI=1S/C16H20N2O/c19-16-8-4-7-15-14(16)11-18(12-17-15)10-9-13-5-2-1-3-6-13/h1-3,5-6,17H,4,7-12H2
InChIKeyVHQWZVUKACXMJR-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.10
Rot. Bonds3

About 3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one

3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one (PubChem CID 5039234) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one.

Molecular Properties

Compound Name3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one
PubChem CID5039234
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one
SMILESO=C1CCCC2=C1CN(CCc1ccccc1)CN2
InChIInChI=1S/C16H20N2O/c19-16-8-4-7-15-14(16)11-18(12-17-15)10-9-13-5-2-1-3-6-13/h1-3,5-6,17H,4,7-12H2
InChIKeyVHQWZVUKACXMJR-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one
CID 7327809
1-(2-phenylethyl)-1,3,5-triazinane
CID 126970923
5,5-dimethyl-4-(2-phenylethyl)piperazin-2-one
CID 117024032
methoxymethane;1-(2-phenylethyl)piperidin-4-one
CID 91011743
6-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one
CID 177373684
3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590693
3-(2-phenylethyl)-6-[[2-[[3-(2-phenylethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
CID 142560582
4-oxo-1-(2-phenylethyl)-6,7-dihydro-5H-indazole-3-carbonitrile
CID 82591124
2-(1-hydroxy-3-phenylpropylidene)cyclohexane-1,3-dione
CID 86081854
3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 141011928
(3S)-3-hydroxy-2-(2-phenylethyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 7299547
3,5-dibenzylidene-1-(2-phenylethyl)piperidin-4-one
CID 54220002

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one?
The IUPAC name of 3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one (CID 5039234) is 3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one.
What is the SMILES notation for 3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one?
The canonical SMILES for 3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one is O=C1CCCC2=C1CN(CCc1ccccc1)CN2.
What is the InChIKey of 3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one?
The InChIKey is VHQWZVUKACXMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16-8-4-7-15-14(16)11-18(12-17-15)10-9-13-5-2-1-3-6-13/h1-3,5-6,17H,4,7-12H2.
What are the key properties of 3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one?
3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one has a molecular weight of 256.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1,2,4,6,7,8-hexahydroquinazolin-5-one is sourced from PubChem (CID 5039234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).