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

C14H13ClN2O2 — CID 2918494

IUPAC4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESO=C1NC2=C(C(=O)CCC2)C(c2ccccc2Cl)N1
InChIInChI=1S/C14H13ClN2O2/c15-9-5-2-1-4-8(9)13-12-10(16-14(19)17-13)6-3-7-11(12)18/h1-2,4-5,13H,3,6-7H2,(H2,16,17,19)
InChIKeyPBGRVHDYNFGNCB-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.70
Rot. Bonds1

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

4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (PubChem CID 2918494) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
PubChem CID2918494
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESO=C1NC2=C(C(=O)CCC2)C(c2ccccc2Cl)N1
InChIInChI=1S/C14H13ClN2O2/c15-9-5-2-1-4-8(9)13-12-10(16-14(19)17-13)6-3-7-11(12)18/h1-2,4-5,13H,3,6-7H2,(H2,16,17,19)
InChIKeyPBGRVHDYNFGNCB-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The IUPAC name of 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (CID 2918494) is 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The canonical SMILES for 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is O=C1NC2=C(C(=O)CCC2)C(c2ccccc2Cl)N1.
What is the InChIKey of 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The InChIKey is PBGRVHDYNFGNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-9-5-2-1-4-8(9)13-12-10(16-14(19)17-13)6-3-7-11(12)18/h1-2,4-5,13H,3,6-7H2,(H2,16,17,19).
What are the key properties of 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione has a molecular weight of 276.72 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is sourced from PubChem (CID 2918494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).