2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid

C17H12ClNO3 — CID 110168584

IUPAC2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cc(OCc2ccc3ccccc3n2)ccc1Cl
InChIInChI=1S/C17H12ClNO3/c18-15-8-7-13(9-14(15)17(20)21)22-10-12-6-5-11-3-1-2-4-16(11)19-12/h1-9H,10H2,(H,20,21)
InChIKeyMANFVLIQZSPWJI-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.17
Rot. Bonds4

About 2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid

2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid (PubChem CID 110168584) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
PubChem CID110168584
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cc(OCc2ccc3ccccc3n2)ccc1Cl
InChIInChI=1S/C17H12ClNO3/c18-15-8-7-13(9-14(15)17(20)21)22-10-12-6-5-11-3-1-2-4-16(11)19-12/h1-9H,10H2,(H,20,21)
InChIKeyMANFVLIQZSPWJI-UHFFFAOYSA-N
XLogP4.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
2-(3-phenylpentan-3-yl)-4-(quinolin-2-ylmethoxy)benzoic acid
CID 69253282
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 106500459
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616018
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate
CID 68576822
2-[3-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]benzoic acid
CID 54238934
5-chloro-4-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]-1,3-benzoxazole-2-carboxylic acid
CID 67922323

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid?
The IUPAC name of 2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid (CID 110168584) is 2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid?
The canonical SMILES for 2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid is O=C(O)c1cc(OCc2ccc3ccccc3n2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid?
The InChIKey is MANFVLIQZSPWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c18-15-8-7-13(9-14(15)17(20)21)22-10-12-6-5-11-3-1-2-4-16(11)19-12/h1-9H,10H2,(H,20,21).
What are the key properties of 2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid?
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid has a molecular weight of 313.74 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 110168584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).