1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide

C15H13N3O2S — CID 167875583

IUPAC1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCc1cc(Cn2cc(C(N)=O)c(=O)c3ccccc32)sn1
InChIInChI=1S/C15H13N3O2S/c1-9-6-10(21-17-9)7-18-8-12(15(16)20)14(19)11-4-2-3-5-13(11)18/h2-6,8H,7H2,1H3,(H2,16,20)
InChIKeyVBBCGUOJPOAOIL-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.91
Rot. Bonds3

About 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide

1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide (PubChem CID 167875583) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide
PubChem CID167875583
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCc1cc(Cn2cc(C(N)=O)c(=O)c3ccccc32)sn1
InChIInChI=1S/C15H13N3O2S/c1-9-6-10(21-17-9)7-18-8-12(15(16)20)14(19)11-4-2-3-5-13(11)18/h2-6,8H,7H2,1H3,(H2,16,20)
InChIKeyVBBCGUOJPOAOIL-UHFFFAOYSA-N
XLogP1.91
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid
CID 70830776
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
3-(3,4-dimethylbenzoyl)-1-(pyrimidin-2-ylmethyl)quinolin-4-one
CID 16731247
3-(3,4-dimethylbenzoyl)-1-(1,3-thiazol-4-ylmethyl)quinolin-4-one
CID 16730934
1-[(4-bromophenyl)methyl]indole-3-carboxamide
CID 91690104
1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 122188100
3-[6-(dimethylamino)pyridine-3-carbonyl]-1-[(3-methylphenyl)methyl]quinolin-4-one
CID 143465593
4-[(3-acetyl-4-oxoquinolin-1-yl)methyl]benzoic acid
CID 122188097
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]ethanone
CID 142695128
2-[1-[(4-cyanophenyl)methyl]indol-3-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
CID 10222620
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate
CID 56810356

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide (CID 167875583) is 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide is Cc1cc(Cn2cc(C(N)=O)c(=O)c3ccccc32)sn1.
What is the InChIKey of 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is VBBCGUOJPOAOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-6-10(21-17-9)7-18-8-12(15(16)20)14(19)11-4-2-3-5-13(11)18/h2-6,8H,7H2,1H3,(H2,16,20).
What are the key properties of 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide?
1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 167875583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).