7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one

C17H13ClN4OS — CID 10269682

IUPAC7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one
SMILESCn1ccnc1Cc1cn(-c2nccs2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C17H13ClN4OS/c1-21-6-4-19-15(21)8-11-10-22(17-20-5-7-24-17)14-9-12(18)2-3-13(14)16(11)23/h2-7,9-10H,8H2,1H3
InChIKeyNZGINAXMNBBZBR-UHFFFAOYSA-N
MW356.84 g/mol
LogP3.42
Rot. Bonds3

About 7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one

7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one (PubChem CID 10269682) has the molecular formula C17H13ClN4OS and a molecular weight of 356.84 g/mol. Its IUPAC name is 7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one.

Molecular Properties

Compound Name7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one
PubChem CID10269682
Molecular FormulaC17H13ClN4OS
Molecular Weight356.84 g/mol
Exact Mass356.05
IUPAC Name7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one
SMILESCn1ccnc1Cc1cn(-c2nccs2)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C17H13ClN4OS/c1-21-6-4-19-15(21)8-11-10-22(17-20-5-7-24-17)14-9-12(18)2-3-13(14)16(11)23/h2-7,9-10H,8H2,1H3
InChIKeyNZGINAXMNBBZBR-UHFFFAOYSA-N
XLogP3.42
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one?
The IUPAC name of 7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one (CID 10269682) is 7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one.
What is the SMILES notation for 7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one?
The canonical SMILES for 7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one is Cn1ccnc1Cc1cn(-c2nccs2)c2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one?
The InChIKey is NZGINAXMNBBZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4OS/c1-21-6-4-19-15(21)8-11-10-22(17-20-5-7-24-17)14-9-12(18)2-3-13(14)16(11)23/h2-7,9-10H,8H2,1H3.
What are the key properties of 7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one?
7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one has a molecular weight of 356.84 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one is sourced from PubChem (CID 10269682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).