2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid

C18H15NO3 — CID 67896812

IUPAC2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
SMILESCc1cc(OCc2ccc3ccccc3n2)ccc1C(=O)O
InChIInChI=1S/C18H15NO3/c1-12-10-15(8-9-16(12)18(20)21)22-11-14-7-6-13-4-2-3-5-17(13)19-14/h2-10H,11H2,1H3,(H,20,21)
InChIKeySMCQEGKBNMKIET-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.82
Rot. Bonds4

About 2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid

2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid (PubChem CID 67896812) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
PubChem CID67896812
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
SMILESCc1cc(OCc2ccc3ccccc3n2)ccc1C(=O)O
InChIInChI=1S/C18H15NO3/c1-12-10-15(8-9-16(12)18(20)21)22-11-14-7-6-13-4-2-3-5-17(13)19-14/h2-10H,11H2,1H3,(H,20,21)
InChIKeySMCQEGKBNMKIET-UHFFFAOYSA-N
XLogP3.82
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616018
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
2-(3-phenylpentan-3-yl)-4-(quinolin-2-ylmethoxy)benzoic acid
CID 69253282
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
4-(1,3-benzoxazol-2-ylmethoxy)-2-methylbenzoic acid
CID 107671276
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
quinolin-2-ylmethyl 2-fluoro-4-(quinolin-2-ylmethoxy)benzoate
CID 68576822
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
2-(fluoromethoxy)-N-methyl-4-(quinolin-2-ylmethoxy)benzamide
CID 68577951
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid?
The IUPAC name of 2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid (CID 67896812) is 2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid?
The canonical SMILES for 2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid is Cc1cc(OCc2ccc3ccccc3n2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid?
The InChIKey is SMCQEGKBNMKIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-10-15(8-9-16(12)18(20)21)22-11-14-7-6-13-4-2-3-5-17(13)19-14/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid?
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 67896812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).