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

C15H16N2O3 — CID 10754643

IUPAC4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESCOc1ccccc1C1NC(=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C15H16N2O3/c1-20-12-8-3-2-5-9(12)14-13-10(16-15(19)17-14)6-4-7-11(13)18/h2-3,5,8,14H,4,6-7H2,1H3,(H2,16,17,19)
InChIKeyLGTROMMITMYQQW-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.06
Rot. Bonds2

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

4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (PubChem CID 10754643) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
PubChem CID10754643
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESCOc1ccccc1C1NC(=O)NC2=C1C(=O)CCC2
InChIInChI=1S/C15H16N2O3/c1-20-12-8-3-2-5-9(12)14-13-10(16-15(19)17-14)6-4-7-11(13)18/h2-3,5,8,14H,4,6-7H2,1H3,(H2,16,17,19)
InChIKeyLGTROMMITMYQQW-UHFFFAOYSA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.06
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
(5R)-5-(2-methoxyphenyl)imidazolidine-2,4-dione
CID 94255380
4-(3-methoxy-2-phenylmethoxyphenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
CID 110529470
(9R)-9-(2-methoxyphenyl)-5,6,7,9-tetrahydro-4H-tetrazolo[5,1-b]quinazolin-8-one
CID 734969
ethyl 4-(2-methoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 4058936
(4S)-4-(2-methoxyphenyl)-7,7-dimethyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one
CID 7064776
(6R)-6-(2-methoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 741919
ethyl (4S)-2-ethyl-4-(2-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1099650
4-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
CID 110529597
(4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 7590851
(9S)-9-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879316
4-(1,3-diphenylpyrazol-4-yl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 46196862

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The IUPAC name of 4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (CID 10754643) is 4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The canonical SMILES for 4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is COc1ccccc1C1NC(=O)NC2=C1C(=O)CCC2.
What is the InChIKey of 4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The InChIKey is LGTROMMITMYQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-12-8-3-2-5-9(12)14-13-10(16-15(19)17-14)6-4-7-11(13)18/h2-3,5,8,14H,4,6-7H2,1H3,(H2,16,17,19).
What are the key properties of 4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione has a molecular weight of 272.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is sourced from PubChem (CID 10754643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).