2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide

C18H18ClN3O2 — CID 878804

IUPAC2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
SMILESCC1(C)CC(=O)c2cnc(NC(=O)Cc3ccc(Cl)cc3)nc2C1
InChIInChI=1S/C18H18ClN3O2/c1-18(2)8-14-13(15(23)9-18)10-20-17(21-14)22-16(24)7-11-3-5-12(19)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,20,21,22,24)
InChIKeyJASLCYRXBGMOOT-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.47
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide

2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide (PubChem CID 878804) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
PubChem CID878804
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide
SMILESCC1(C)CC(=O)c2cnc(NC(=O)Cc3ccc(Cl)cc3)nc2C1
InChIInChI=1S/C18H18ClN3O2/c1-18(2)8-14-13(15(23)9-18)10-20-17(21-14)22-16(24)7-11-3-5-12(19)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,20,21,22,24)
InChIKeyJASLCYRXBGMOOT-UHFFFAOYSA-N
XLogP3.47
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide with MolForge

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Related Compounds

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 663860
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3-phenylpropanamide
CID 683031
7,7-Dimethyl-2-(4-methylanilino)-6,8-dihydroquinazolin-5-one
CID 944643
2-anilino-7-methyl-7,8-dihydro-5(6H)-quinazolinone
CID 2978447
7-methyl-2-[(4-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 16584098
2-(m-tolylamino)-7,8-dihydroquinazolin-5(6H)-one
CID 17228330
2-((3-Chlorophenyl)amino)-7,8-dihydroquinazolin-5(6H)-one
CID 57388817
2-((4-Chlorophenyl)amino)-7,8-dihydroquinazolin-5(6H)-one
CID 57388818

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide (CID 878804) is 2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide is CC1(C)CC(=O)c2cnc(NC(=O)Cc3ccc(Cl)cc3)nc2C1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide?
The InChIKey is JASLCYRXBGMOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-18(2)8-14-13(15(23)9-18)10-20-17(21-14)22-16(24)7-11-3-5-12(19)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,20,21,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide?
2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide has a molecular weight of 343.81 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide is sourced from PubChem (CID 878804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).