(3-methylphenyl)methyl quinoline-2-carboxylate

C18H15NO2 — CID 7813134

IUPAC(3-methylphenyl)methyl quinoline-2-carboxylate
SMILESCc1cccc(COC(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C18H15NO2/c1-13-5-4-6-14(11-13)12-21-18(20)17-10-9-15-7-2-3-8-16(15)19-17/h2-11H,12H2,1H3
InChIKeySRUOTQKGEBZSIJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.90
Rot. Bonds3

About (3-methylphenyl)methyl quinoline-2-carboxylate

(3-methylphenyl)methyl quinoline-2-carboxylate (PubChem CID 7813134) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3-methylphenyl)methyl quinoline-2-carboxylate.

Molecular Properties

Compound Name(3-methylphenyl)methyl quinoline-2-carboxylate
PubChem CID7813134
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(3-methylphenyl)methyl quinoline-2-carboxylate
SMILESCc1cccc(COC(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C18H15NO2/c1-13-5-4-6-14(11-13)12-21-18(20)17-10-9-15-7-2-3-8-16(15)19-17/h2-11H,12H2,1H3
InChIKeySRUOTQKGEBZSIJ-UHFFFAOYSA-N
XLogP3.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylphenyl)methyl quinoline-2-carboxylate
CID 4968223
(4-chlorophenyl)methyl quinoline-2-carboxylate
CID 2630806
(5-methyl-1,3,4-oxadiazol-2-yl)methyl quinoline-2-carboxylate
CID 7812565
(3-methylphenyl)methyl 3-hydroxybenzoate
CID 44587285
benzyl 6-butoxyquinoline-2-carboxylate
CID 90291187
naphthalen-2-ylmethyl 3-methylbenzoate
CID 976134
(2-bromo-4,5-dimethoxyphenyl)methyl quinoline-2-carboxylate
CID 8862362
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl quinoline-2-carboxylate
CID 9291598
(2,4,6-trimethylbenzoyl) quinoline-2-carboxylate
CID 18335638
2-[(3-methylphenyl)methyl]quinoline
CID 91665483
N-phenylmethoxyquinoline-2-carboxamide
CID 9227229
[dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate
CID 139238801

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl quinoline-2-carboxylate?
The IUPAC name of (3-methylphenyl)methyl quinoline-2-carboxylate (CID 7813134) is (3-methylphenyl)methyl quinoline-2-carboxylate.
What is the SMILES notation for (3-methylphenyl)methyl quinoline-2-carboxylate?
The canonical SMILES for (3-methylphenyl)methyl quinoline-2-carboxylate is Cc1cccc(COC(=O)c2ccc3ccccc3n2)c1.
What is the InChIKey of (3-methylphenyl)methyl quinoline-2-carboxylate?
The InChIKey is SRUOTQKGEBZSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13-5-4-6-14(11-13)12-21-18(20)17-10-9-15-7-2-3-8-16(15)19-17/h2-11H,12H2,1H3.
What are the key properties of (3-methylphenyl)methyl quinoline-2-carboxylate?
(3-methylphenyl)methyl quinoline-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl quinoline-2-carboxylate is sourced from PubChem (CID 7813134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).