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

C19H21N3O3 — CID 45118270

IUPAC8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
SMILESCNC(C)c1nc2c(OC)cccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C19H21N3O3/c1-12(20-2)18-21-17-15(6-5-7-16(17)25-4)19(23)22(18)13-8-10-14(24-3)11-9-13/h5-12,20H,1-4H3
InChIKeyYUDUYMCGHUMSTA-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.68
Rot. Bonds5

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

8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one (PubChem CID 45118270) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
PubChem CID45118270
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
SMILESCNC(C)c1nc2c(OC)cccc2c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C19H21N3O3/c1-12(20-2)18-21-17-15(6-5-7-16(17)25-4)19(23)22(18)13-8-10-14(24-3)11-9-13/h5-12,20H,1-4H3
InChIKeyYUDUYMCGHUMSTA-UHFFFAOYSA-N
XLogP2.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one?
The IUPAC name of 8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one (CID 45118270) is 8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one is CNC(C)c1nc2c(OC)cccc2c(=O)n1-c1ccc(OC)cc1.
What is the InChIKey of 8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one?
The InChIKey is YUDUYMCGHUMSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(20-2)18-21-17-15(6-5-7-16(17)25-4)19(23)22(18)13-8-10-14(24-3)11-9-13/h5-12,20H,1-4H3.
What are the key properties of 8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one?
8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one has a molecular weight of 339.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 45118270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).