1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid

C14H15NO5 — CID 82248606

IUPAC1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)n(CC(O)CO)c2ccccc2c1=O
InChIInChI=1S/C14H15NO5/c1-8-12(14(19)20)15(6-9(17)7-16)11-5-3-2-4-10(11)13(8)18/h2-5,9,16-17H,6-7H2,1H3,(H,19,20)
InChIKeyQIVVHPGOHQVIKS-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.36
Rot. Bonds4

About 1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid

1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid (PubChem CID 82248606) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid
PubChem CID82248606
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)n(CC(O)CO)c2ccccc2c1=O
InChIInChI=1S/C14H15NO5/c1-8-12(14(19)20)15(6-9(17)7-16)11-5-3-2-4-10(11)13(8)18/h2-5,9,16-17H,6-7H2,1H3,(H,19,20)
InChIKeyQIVVHPGOHQVIKS-UHFFFAOYSA-N
XLogP0.36
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82242836
(2R)-1-(4-benzylpiperazin-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 21235149
1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 3151627
3-[(2S)-2,3-dihydroxypropyl]-1H-benzimidazol-2-one
CID 95561994
3-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 83969302
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
[(2R)-1-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]propan-2-yl]carbamic acid
CID 118415459
10-(2-methylpropyl)acridin-9-one
CID 59742563
2-amino-3-(9-oxoacridin-10-yl)propanoic acid
CID 65443403
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
1-anilino-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 2897460
2-(3-carbazol-9-yl-2-hydroxypropyl)-1-methyl-1,2,4-triazol-3-one
CID 166319763

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid (CID 82248606) is 1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid is Cc1c(C(=O)O)n(CC(O)CO)c2ccccc2c1=O.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is QIVVHPGOHQVIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-8-12(14(19)20)15(6-9(17)7-16)11-5-3-2-4-10(11)13(8)18/h2-5,9,16-17H,6-7H2,1H3,(H,19,20).
What are the key properties of 1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid?
1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-3-methyl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82248606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).