7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid

C14H12ClNO3 — CID 113483506

IUPAC7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCOC2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H12ClNO3/c15-9-1-2-10-11(14(17)18)6-12(16-13(10)5-9)8-3-4-19-7-8/h1-2,5-6,8H,3-4,7H2,(H,17,18)
InChIKeyPVRZOXSUPIFRCB-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.09
Rot. Bonds2

About 7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid

7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid (PubChem CID 113483506) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
PubChem CID113483506
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C2CCOC2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H12ClNO3/c15-9-1-2-10-11(14(17)18)6-12(16-13(10)5-9)8-3-4-19-7-8/h1-2,5-6,8H,3-4,7H2,(H,17,18)
InChIKeyPVRZOXSUPIFRCB-UHFFFAOYSA-N
XLogP3.09
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
CID 113483500
7-bromo-2-cyclohexylquinoline-4-carboxylic acid
CID 43805508
7-chloro-2-propan-2-ylquinoline-4-carboxylic acid
CID 60984699
6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid
CID 118556049
7-chloro-2-(trifluoromethyl)quinoline-4-carboxylic acid
CID 71385990
2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid
CID 115036379
7-chloro-2-phenylquinoline-4-carboxylic acid;deuterium monohydride;methyl 7-chloro-2-phenylquinoline-4-carboxylate
CID 159549627
2-[(3S)-oxolan-3-yl]pyridine-4-carboxylic acid
CID 99934799
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
CID 104749846
6-[(3R)-oxolan-3-yl]quinoline-4-carboxylic acid
CID 170633420
6-(oxolan-3-yl)quinoline-4-carboxylic acid
CID 175960371
4-chloro-2-(oxolan-3-ylamino)benzoic acid
CID 80716241

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid?
The IUPAC name of 7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid (CID 113483506) is 7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(C2CCOC2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid?
The InChIKey is PVRZOXSUPIFRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c15-9-1-2-10-11(14(17)18)6-12(16-13(10)5-9)8-3-4-19-7-8/h1-2,5-6,8H,3-4,7H2,(H,17,18).
What are the key properties of 7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid?
7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 113483506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).