1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid

C15H17NO4 — CID 82213109

IUPAC1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid
SMILESCc1cc2c(ccc(=O)n2CCCO)c(C)c1C(=O)O
InChIInChI=1S/C15H17NO4/c1-9-8-12-11(10(2)14(9)15(19)20)4-5-13(18)16(12)6-3-7-17/h4-5,8,17H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyYIEAFKOJAINCNY-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.70
Rot. Bonds4

About 1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid

1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid (PubChem CID 82213109) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid
PubChem CID82213109
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid
SMILESCc1cc2c(ccc(=O)n2CCCO)c(C)c1C(=O)O
InChIInChI=1S/C15H17NO4/c1-9-8-12-11(10(2)14(9)15(19)20)4-5-13(18)16(12)6-3-7-17/h4-5,8,17H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyYIEAFKOJAINCNY-UHFFFAOYSA-N
XLogP1.70
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dimethyl-1-[(2-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947547
1-(3-hydroxypropyl)-2,3,6-trimethylindole-7-carboxylic acid
CID 83964760
1,3-bis(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
CID 83964764
8-bromo-1-(3-hydroxypropyl)-2-oxoquinoline-6-carboxylic acid
CID 82213037
7-fluoro-1-(3-hydroxypropyl)quinolin-2-one
CID 118936660
1-(3-hydroxypropyl)-3,6-dimethylindole-7-carboxylic acid
CID 83946407
2-[[1-(3-hydroxypropyl)-2-oxoquinolin-6-yl]-methylamino]acetic acid
CID 117099724
3-(2-aminoethyl)-1-(3-hydroxypropyl)-2,6-dimethylindole-7-carboxylic acid
CID 83964766
1-(2-hydroxyethyl)-8-methyl-2-oxoquinoline-6-carboxylic acid
CID 82213077
3-butyl-1-(3-hydroxypropyl)-2,5-dimethylindole-6-carboxylic acid
CID 83963944
1-(5-hydroxypentyl)-2,3-dimethylindole-5-carboxylic acid
CID 62229225
1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one
CID 117099745

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid?
The IUPAC name of 1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid (CID 82213109) is 1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid?
The canonical SMILES for 1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid is Cc1cc2c(ccc(=O)n2CCCO)c(C)c1C(=O)O.
What is the InChIKey of 1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid?
The InChIKey is YIEAFKOJAINCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-8-12-11(10(2)14(9)15(19)20)4-5-13(18)16(12)6-3-7-17/h4-5,8,17H,3,6-7H2,1-2H3,(H,19,20).
What are the key properties of 1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid?
1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-5,7-dimethyl-2-oxoquinoline-6-carboxylic acid is sourced from PubChem (CID 82213109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).