8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one

C18H18ClN3O — CID 22484630

IUPAC8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
SMILESCNCCn1c(-c2ccc(C)cc2)nc2c(Cl)cccc2c1=O
InChIInChI=1S/C18H18ClN3O/c1-12-6-8-13(9-7-12)17-21-16-14(4-3-5-15(16)19)18(23)22(17)11-10-20-2/h3-9,20H,10-11H2,1-2H3
InChIKeyYFPWCZWGAOIGIJ-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.24
Rot. Bonds4

About 8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one

8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one (PubChem CID 22484630) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
PubChem CID22484630
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
SMILESCNCCn1c(-c2ccc(C)cc2)nc2c(Cl)cccc2c1=O
InChIInChI=1S/C18H18ClN3O/c1-12-6-8-13(9-7-12)17-21-16-14(4-3-5-15(16)19)18(23)22(17)11-10-20-2/h3-9,20H,10-11H2,1-2H3
InChIKeyYFPWCZWGAOIGIJ-UHFFFAOYSA-N
XLogP3.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-3-[2-(ethylamino)propyl]-2-(4-methylphenyl)quinazolin-4-one
CID 22484708
8-chloro-3-[2-(methylamino)propyl]-2-phenylquinazolin-4-one
CID 22484710
3-benzyl-8-methyl-2-(4-methylphenyl)quinazolin-4-one
CID 175460267
3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
CID 22484643
2-amino-8-chloro-3-methylquinazolin-4-one
CID 84780957
2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine
CID 84627983
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264080
8-chloro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84639727
3-(2-bromoethyl)-2-(4-chlorophenyl)quinazolin-4-one
CID 18315900
1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262294
10-methyl-2-(4-methylphenyl)-3-(2-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione
CID 2032213

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one (CID 22484630) is 8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one is CNCCn1c(-c2ccc(C)cc2)nc2c(Cl)cccc2c1=O.
What is the InChIKey of 8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one?
The InChIKey is YFPWCZWGAOIGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-12-6-8-13(9-7-12)17-21-16-14(4-3-5-15(16)19)18(23)22(17)11-10-20-2/h3-9,20H,10-11H2,1-2H3.
What are the key properties of 8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one?
8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one has a molecular weight of 327.82 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[2-(methylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 22484630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).