3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one

C24H24N4O3S — CID 17477143

IUPAC3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one
SMILESCOc1cccc(-c2csc(Cn3c(CN4CCOCC4)nc4ccccc4c3=O)n2)c1
InChIInChI=1S/C24H24N4O3S/c1-30-18-6-4-5-17(13-18)21-16-32-23(26-21)15-28-22(14-27-9-11-31-12-10-27)25-20-8-3-2-7-19(20)24(28)29/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeySLCODFSAKJUDQL-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.41
Rot. Bonds6

About 3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one

3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one (PubChem CID 17477143) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one
PubChem CID17477143
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one
SMILESCOc1cccc(-c2csc(Cn3c(CN4CCOCC4)nc4ccccc4c3=O)n2)c1
InChIInChI=1S/C24H24N4O3S/c1-30-18-6-4-5-17(13-18)21-16-32-23(26-21)15-28-22(14-27-9-11-31-12-10-27)25-20-8-3-2-7-19(20)24(28)29/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeySLCODFSAKJUDQL-UHFFFAOYSA-N
XLogP3.41
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The IUPAC name of 3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one (CID 17477143) is 3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The canonical SMILES for 3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one is COc1cccc(-c2csc(Cn3c(CN4CCOCC4)nc4ccccc4c3=O)n2)c1.
What is the InChIKey of 3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The InChIKey is SLCODFSAKJUDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-30-18-6-4-5-17(13-18)21-16-32-23(26-21)15-28-22(14-27-9-11-31-12-10-27)25-20-8-3-2-7-19(20)24(28)29/h2-8,13,16H,9-12,14-15H2,1H3.
What are the key properties of 3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one?
3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one has a molecular weight of 448.55 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 17477143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).