4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one

C19H22N4O2S — CID 118736878

IUPAC4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one
SMILESCOC1CCC(Nc2nc(=O)[nH]c3c(C)cc(-c4cncs4)cc23)CC1
InChIInChI=1S/C19H22N4O2S/c1-11-7-12(16-9-20-10-26-16)8-15-17(11)22-19(24)23-18(15)21-13-3-5-14(25-2)6-4-13/h7-10,13-14H,3-6H2,1-2H3,(H2,21,22,23,24)
InChIKeyXPEBLJSPHXLWGT-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.72
Rot. Bonds4

About 4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one

4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one (PubChem CID 118736878) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one
PubChem CID118736878
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one
SMILESCOC1CCC(Nc2nc(=O)[nH]c3c(C)cc(-c4cncs4)cc23)CC1
InChIInChI=1S/C19H22N4O2S/c1-11-7-12(16-9-20-10-26-16)8-15-17(11)22-19(24)23-18(15)21-13-3-5-14(25-2)6-4-13/h7-10,13-14H,3-6H2,1-2H3,(H2,21,22,23,24)
InChIKeyXPEBLJSPHXLWGT-UHFFFAOYSA-N
XLogP3.72
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
CID 118736855
CD38 inhibitor 1
CID 118736856
4-[[4-(2-Methoxyethoxy)cyclohexyl]amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736857
4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
CID 118736859
4-[(4-Methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736861
8-methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
CID 118736851
4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)-1H-quinolin-2-one
CID 118736854
1-Ethyl-4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736858
4-[(4-Methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736860
4-[(4-Hydroxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736862
4-[[4-(2-Methoxyethoxy)cyclohexyl]amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one
CID 118736879
4-[(4-Methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one
CID 118736880

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one?
The IUPAC name of 4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one (CID 118736878) is 4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one.
What is the SMILES notation for 4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one?
The canonical SMILES for 4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one is COC1CCC(Nc2nc(=O)[nH]c3c(C)cc(-c4cncs4)cc23)CC1.
What is the InChIKey of 4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one?
The InChIKey is XPEBLJSPHXLWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-11-7-12(16-9-20-10-26-16)8-15-17(11)22-19(24)23-18(15)21-13-3-5-14(25-2)6-4-13/h7-10,13-14H,3-6H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one?
4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one has a molecular weight of 370.48 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one is sourced from PubChem (CID 118736878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).