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

C19H22N4O2S — CID 118736880

IUPAC4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one
SMILESCOC1CCC(Nc2nc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C19H22N4O2S/c1-23-16-8-3-12(17-10-20-11-26-17)9-15(16)18(22-19(23)24)21-13-4-6-14(25-2)7-5-13/h3,8-11,13-14H,4-7H2,1-2H3,(H,21,22,24)
InChIKeyKYZOKRJDUREGKD-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.43
Rot. Bonds4

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

4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one (PubChem CID 118736880) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one.

Molecular Properties

Compound Name4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one
PubChem CID118736880
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one
SMILESCOC1CCC(Nc2nc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C19H22N4O2S/c1-23-16-8-3-12(17-10-20-11-26-17)9-15(16)18(22-19(23)24)21-13-4-6-14(25-2)7-5-13/h3,8-11,13-14H,4-7H2,1-2H3,(H,21,22,24)
InChIKeyKYZOKRJDUREGKD-UHFFFAOYSA-N
XLogP3.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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
4-[(4-methoxycyclohexyl)amino]-8-methyl-6-(1,3-thiazol-5-yl)-1H-quinazolin-2-one
CID 118736878
1-Methyl-4-(oxan-4-ylamino)-6-(1,3-thiazol-5-yl)quinolin-2-one
CID 118736852
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one?
The IUPAC name of 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one (CID 118736880) is 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one.
What is the SMILES notation for 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one?
The canonical SMILES for 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one is COC1CCC(Nc2nc(=O)n(C)c3ccc(-c4cncs4)cc23)CC1.
What is the InChIKey of 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one?
The InChIKey is KYZOKRJDUREGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-23-16-8-3-12(17-10-20-11-26-17)9-15(16)18(22-19(23)24)21-13-4-6-14(25-2)7-5-13/h3,8-11,13-14H,4-7H2,1-2H3,(H,21,22,24).
What are the key properties of 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one?
4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one has a molecular weight of 370.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxycyclohexyl)amino]-1-methyl-6-(1,3-thiazol-5-yl)quinazolin-2-one is sourced from PubChem (CID 118736880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).