4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione

C16H17ClN2O2 — CID 4537231

IUPAC4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione
SMILESCCN1C(=O)NC(c2ccc(Cl)cc2)C2=C1CCCC2=O
InChIInChI=1S/C16H17ClN2O2/c1-2-19-12-4-3-5-13(20)14(12)15(18-16(19)21)10-6-8-11(17)9-7-10/h6-9,15H,2-5H2,1H3,(H,18,21)
InChIKeyNNWDKRMVHVFPGU-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.43
Rot. Bonds2

About 4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione

4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione (PubChem CID 4537231) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione
PubChem CID4537231
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione
SMILESCCN1C(=O)NC(c2ccc(Cl)cc2)C2=C1CCCC2=O
InChIInChI=1S/C16H17ClN2O2/c1-2-19-12-4-3-5-13(20)14(12)15(18-16(19)21)10-6-8-11(17)9-7-10/h6-9,15H,2-5H2,1H3,(H,18,21)
InChIKeyNNWDKRMVHVFPGU-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,5,6,7,8-Octahydro-4-phenylquinazoline-2,5-dione
CID 4566093
4-(2-chlorophenyl)-1,3,7,7-tetramethyl-6,8-dihydro-4H-quinazoline-2,5-dione
CID 3907389
4-(2-chlorophenyl)-1,7,7-trimethyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinazolinedione
CID 4017936
4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 4123100
2,5(1H,3H)-Quinazolinedione, 4-(2-chlorophenyl)-4,6,7,8-tetrahydro-
CID 2918494
4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2998268
(6S)-5-acetyl-3-benzyl-4-methyl-6-(2-phenylethyl)-1,6-dihydropyrimidin-2-one
CID 9548423
(3aS,6R,6aS,9aR,9bR)-N-[(4-chlorophenyl)methyl]-6-ethyl-5-oxo-3,3a,4,6,6a,7,8,9,9a,9b-decahydro-2H-benzo[de]quinoline-1-carboxamide
CID 134141708
4-(2-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
CID 3897146
4-(3-fluorophenyl)-1,7,7-trimethyl-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
CID 4114493
4-(4-chlorophenyl)-1,7,7-trimethyl-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
CID 4228739
ST51005416
CID 2729421

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione?
The IUPAC name of 4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione (CID 4537231) is 4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione?
The canonical SMILES for 4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione is CCN1C(=O)NC(c2ccc(Cl)cc2)C2=C1CCCC2=O.
What is the InChIKey of 4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione?
The InChIKey is NNWDKRMVHVFPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-19-12-4-3-5-13(20)14(12)15(18-16(19)21)10-6-8-11(17)9-7-10/h6-9,15H,2-5H2,1H3,(H,18,21).
What are the key properties of 4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione?
4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione has a molecular weight of 304.78 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydro-3H-quinazoline-2,5-dione is sourced from PubChem (CID 4537231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).