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

C14H13ClN2O2 — CID 7590851

IUPAC(4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESO=C1NC2=C(C(=O)CCC2)[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C14H13ClN2O2/c15-9-6-4-8(5-7-9)13-12-10(16-14(19)17-13)2-1-3-11(12)18/h4-7,13H,1-3H2,(H2,16,17,19)/t13-/m1/s1
InChIKeyJUHFTIAEWCQGJE-CYBMUJFWSA-N
MW276.72 g/mol
LogP2.70
Rot. Bonds1

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

(4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (PubChem CID 7590851) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is (4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
PubChem CID7590851
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name(4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESO=C1NC2=C(C(=O)CCC2)[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C14H13ClN2O2/c15-9-6-4-8(5-7-9)13-12-10(16-14(19)17-13)2-1-3-11(12)18/h4-7,13H,1-3H2,(H2,16,17,19)/t13-/m1/s1
InChIKeyJUHFTIAEWCQGJE-CYBMUJFWSA-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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Related Compounds

(4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 756989
[4-(2,5-dioxo-1,3,4,6,7,8-hexahydroquinazolin-4-yl)phenyl]boronic acid
CID 102096907
(6S)-6-(4-chlorophenyl)-2,3-dimethyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 7084838
4-(4-chlorophenyl)-6,6-dimethyl-3,4,7,8-tetrahydro-1H-quinazoline-2,5-dione
CID 10566463
4-(4-chlorophenyl)-2,2-dioxo-1,3,4,6,7,8-hexahydro-2λ6,1,3-benzothiadiazin-5-one
CID 155294730
4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 4674621
4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 23968011
4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 4190328
5-(4-chlorophenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 2921737
cyclohexyl 4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3751297
4-(2-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 10754643
(4R)-4-(4-chlorophenyl)-6-(2-hydroxyethyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7387700

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The IUPAC name of (4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (CID 7590851) is (4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.
What is the SMILES notation for (4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The canonical SMILES for (4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is O=C1NC2=C(C(=O)CCC2)[C@@H](c2ccc(Cl)cc2)N1.
What is the InChIKey of (4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The InChIKey is JUHFTIAEWCQGJE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-9-6-4-8(5-7-9)13-12-10(16-14(19)17-13)2-1-3-11(12)18/h4-7,13H,1-3H2,(H2,16,17,19)/t13-/m1/s1.
What are the key properties of (4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
(4R)-4-(4-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 (4R)-4-(4-chlorophenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is sourced from PubChem (CID 7590851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).