4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one

C21H25N3O2S — CID 118736861

IUPAC4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCOC1CCC(Nc2cc(=O)n(C)c3c(C)cc(-c4cncs4)cc23)CC1
InChIInChI=1S/C21H25N3O2S/c1-13-8-14(19-11-22-12-27-19)9-17-18(10-20(25)24(2)21(13)17)23-15-4-6-16(26-3)7-5-15/h8-12,15-16,23H,4-7H2,1-3H3
InChIKeyHJBLPDHCMRUFHW-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.34
Rot. Bonds4

About 4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one

4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one (PubChem CID 118736861) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one.

Molecular Properties

Compound Name4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one
PubChem CID118736861
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one
SMILESCOC1CCC(Nc2cc(=O)n(C)c3c(C)cc(-c4cncs4)cc23)CC1
InChIInChI=1S/C21H25N3O2S/c1-13-8-14(19-11-22-12-27-19)9-17-18(10-20(25)24(2)21(13)17)23-15-4-6-16(26-3)7-5-15/h8-12,15-16,23H,4-7H2,1-3H3
InChIKeyHJBLPDHCMRUFHW-UHFFFAOYSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
The IUPAC name of 4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one (CID 118736861) is 4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one.
What is the SMILES notation for 4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
The canonical SMILES for 4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one is COC1CCC(Nc2cc(=O)n(C)c3c(C)cc(-c4cncs4)cc23)CC1.
What is the InChIKey of 4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
The InChIKey is HJBLPDHCMRUFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-13-8-14(19-11-22-12-27-19)9-17-18(10-20(25)24(2)21(13)17)23-15-4-6-16(26-3)7-5-15/h8-12,15-16,23H,4-7H2,1-3H3.
What are the key properties of 4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one?
4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one has a molecular weight of 383.52 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxycyclohexyl)amino]-1,8-dimethyl-6-(1,3-thiazol-5-yl)quinolin-2-one is sourced from PubChem (CID 118736861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).