3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one

C20H23ClN4O — CID 139668150

IUPAC3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccc(N(C)CCN(C)C)cc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN4O/c1-14-22-19-10-9-17(24(4)12-11-23(2)3)13-18(19)20(26)25(14)16-7-5-15(21)6-8-16/h5-10,13H,11-12H2,1-4H3
InChIKeyPMQOHSKCFTWZMB-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.35
Rot. Bonds5

About 3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one

3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one (PubChem CID 139668150) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one
PubChem CID139668150
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccc(N(C)CCN(C)C)cc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN4O/c1-14-22-19-10-9-17(24(4)12-11-23(2)3)13-18(19)20(26)25(14)16-7-5-15(21)6-8-16/h5-10,13H,11-12H2,1-4H3
InChIKeyPMQOHSKCFTWZMB-UHFFFAOYSA-N
XLogP3.35
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one (CID 139668150) is 3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one is Cc1nc2ccc(N(C)CCN(C)C)cc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one?
The InChIKey is PMQOHSKCFTWZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-14-22-19-10-9-17(24(4)12-11-23(2)3)13-18(19)20(26)25(14)16-7-5-15(21)6-8-16/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one?
3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one has a molecular weight of 370.88 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 139668150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).