8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one

C18H18ClN3O2 — CID 67073725

IUPAC8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
SMILESCNC(C)c1nc2c(Cl)cccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C18H18ClN3O2/c1-11(20-2)17-21-16-14(5-4-6-15(16)19)18(23)22(17)12-7-9-13(24-3)10-8-12/h4-11,20H,1-3H3
InChIKeyICRCDUVVYKWIBQ-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.33
Rot. Bonds4

About 8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one

8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one (PubChem CID 67073725) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
PubChem CID67073725
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
SMILESCNC(C)c1nc2c(Cl)cccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C18H18ClN3O2/c1-11(20-2)17-21-16-14(5-4-6-15(16)19)18(23)22(17)12-7-9-13(24-3)10-8-12/h4-11,20H,1-3H3
InChIKeyICRCDUVVYKWIBQ-UHFFFAOYSA-N
XLogP3.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one?
The IUPAC name of 8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one (CID 67073725) is 8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one is CNC(C)c1nc2c(Cl)cccc2c(=O)n1-c1ccc(OC)cc1.
What is the InChIKey of 8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one?
The InChIKey is ICRCDUVVYKWIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-11(20-2)17-21-16-14(5-4-6-15(16)19)18(23)22(17)12-7-9-13(24-3)10-8-12/h4-11,20H,1-3H3.
What are the key properties of 8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one?
8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one has a molecular weight of 343.81 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 67073725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).