(4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

C15H16N2O3 — CID 853727

IUPAC(4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESO=C1NC2=C(C(=O)CCC2)[C@H](OCc2ccccc2)N1
InChIInChI=1S/C15H16N2O3/c18-12-8-4-7-11-13(12)14(17-15(19)16-11)20-9-10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H2,16,17,19)/t14-/m0/s1
InChIKeyQZWOTERXMCEQQI-AWEZNQCLSA-N
MW272.30 g/mol
LogP1.85
Rot. Bonds3

About (4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

(4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (PubChem CID 853727) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name(4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
PubChem CID853727
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESO=C1NC2=C(C(=O)CCC2)[C@H](OCc2ccccc2)N1
InChIInChI=1S/C15H16N2O3/c18-12-8-4-7-11-13(12)14(17-15(19)16-11)20-9-10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H2,16,17,19)/t14-/m0/s1
InChIKeyQZWOTERXMCEQQI-AWEZNQCLSA-N
XLogP1.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 4674621
4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 10754643
(4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 756989
9-(2-phenylmethoxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 135592011
(4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 7590851
4-(3-methoxy-2-phenylmethoxyphenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
CID 110529470
benzyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2872759
4-[[2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]methyl]benzoic acid
CID 1312680
(4S)-2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 1120814
benzyl (4S)-4-(2-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1043665
(4S)-4-phenylmethoxycycloheptan-1-one
CID 124560825
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The IUPAC name of (4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (CID 853727) is (4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.
What is the SMILES notation for (4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The canonical SMILES for (4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is O=C1NC2=C(C(=O)CCC2)[C@H](OCc2ccccc2)N1.
What is the InChIKey of (4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The InChIKey is QZWOTERXMCEQQI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-12-8-4-7-11-13(12)14(17-15(19)16-11)20-9-10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2,(H2,16,17,19)/t14-/m0/s1.
What are the key properties of (4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
(4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione has a molecular weight of 272.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenylmethoxy-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is sourced from PubChem (CID 853727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).