6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid

C15H14ClNO3 — CID 118556049

IUPAC6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2nc(C3CCOCC3)ccc12
InChIInChI=1S/C15H14ClNO3/c16-11-2-4-13-10(14(11)15(18)19)1-3-12(17-13)9-5-7-20-8-6-9/h1-4,9H,5-8H2,(H,18,19)
InChIKeyNUOHATYIABFATR-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.48
Rot. Bonds2

About 6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid

6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid (PubChem CID 118556049) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid
PubChem CID118556049
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid
SMILESO=C(O)c1c(Cl)ccc2nc(C3CCOCC3)ccc12
InChIInChI=1S/C15H14ClNO3/c16-11-2-4-13-10(14(11)15(18)19)1-3-12(17-13)9-5-7-20-8-6-9/h1-4,9H,5-8H2,(H,18,19)
InChIKeyNUOHATYIABFATR-UHFFFAOYSA-N
XLogP3.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid
CID 118556050
6-chloro-2-pyrrolidin-1-ylquinoline-5-carboxylic acid
CID 118556113
7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
CID 113483506
6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid
CID 118556115
3,6-dichloro-2-(oxane-4-carbonylamino)benzoic acid
CID 107048594
6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
CID 118559729
2-chloro-6-(oxan-4-yl)pyridin-3-amine
CID 115028136
6-chloro-2-(2-hydroxyethylamino)quinoline-5-carboxylic acid
CID 118555987
3-[6-chloro-5-[3-(4,4-difluorocyclohexyl)propanoyl]quinolin-2-yl]cyclopentan-1-one
CID 149468239
3-hydroxy-1-[[2-(oxan-4-yl)quinolin-6-yl]methyl]pyrrolidin-2-one
CID 174207046
2-amino-2-[4-(oxan-4-yl)pyrimidin-2-yl]acetic acid
CID 115041987
2,6-dichloroquinoline-5-carbonyl chloride
CID 131843681

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid?
The IUPAC name of 6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid (CID 118556049) is 6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid?
The canonical SMILES for 6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid is O=C(O)c1c(Cl)ccc2nc(C3CCOCC3)ccc12.
What is the InChIKey of 6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid?
The InChIKey is NUOHATYIABFATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-11-2-4-13-10(14(11)15(18)19)1-3-12(17-13)9-5-7-20-8-6-9/h1-4,9H,5-8H2,(H,18,19).
What are the key properties of 6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid?
6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid has a molecular weight of 291.73 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid is sourced from PubChem (CID 118556049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).