6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one

C18H12ClN3O2 — CID 135458175

IUPAC6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one
SMILESCc1cc(-c2c(-c3ccncc3)c3cc(Cl)ccc3[nH]c2=O)on1
InChIInChI=1S/C18H12ClN3O2/c1-10-8-15(24-22-10)17-16(11-4-6-20-7-5-11)13-9-12(19)2-3-14(13)21-18(17)23/h2-9H,1H3,(H,21,23)
InChIKeyASYDVLCYGJHGKC-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.21
Rot. Bonds2

About 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one

6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one (PubChem CID 135458175) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one
PubChem CID135458175
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one
SMILESCc1cc(-c2c(-c3ccncc3)c3cc(Cl)ccc3[nH]c2=O)on1
InChIInChI=1S/C18H12ClN3O2/c1-10-8-15(24-22-10)17-16(11-4-6-20-7-5-11)13-9-12(19)2-3-14(13)21-18(17)23/h2-9H,1H3,(H,21,23)
InChIKeyASYDVLCYGJHGKC-UHFFFAOYSA-N
XLogP4.21
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-(3-methylisoxazol-5-YL)-4-phenylquinolin-2(1H)-one
CID 135457822
6-chloro-4-cyclohexyl-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135442635
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,8-naphthyridin-2-one
CID 135471215
6-chloro-4-(cyclohepten-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135483665
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-1,7-naphthyridin-2-one
CID 135497054
6-chloro-4-phenyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135499847
6-chloro-4-(cyclohexen-1-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 135545383
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-(4-methylphenyl)-1H-quinolin-2-one
CID 136018630
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-(4-propan-2-ylphenyl)-1H-quinolin-2-one
CID 136018639
6-chloro-4-(4-ethylphenyl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 136018642
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-(3-methylphenyl)-1H-quinolin-2-one
CID 136018664
Cambridge id 6131393
CID 702091

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one (CID 135458175) is 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one is Cc1cc(-c2c(-c3ccncc3)c3cc(Cl)ccc3[nH]c2=O)on1.
What is the InChIKey of 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one?
The InChIKey is ASYDVLCYGJHGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c1-10-8-15(24-22-10)17-16(11-4-6-20-7-5-11)13-9-12(19)2-3-14(13)21-18(17)23/h2-9H,1H3,(H,21,23).
What are the key properties of 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one?
6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one has a molecular weight of 337.77 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-yl-1H-quinolin-2-one is sourced from PubChem (CID 135458175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).