methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate

C22H15NO3 — CID 175123666

IUPACmethyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2cccc3ccccc23)c2ccccc2n1
InChIInChI=1S/C22H15NO3/c1-26-22(25)20-13-18(16-10-4-5-12-19(16)23-20)21(24)17-11-6-8-14-7-2-3-9-15(14)17/h2-13H,1H3
InChIKeyOGVRXIXOGJKIPS-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.41
Rot. Bonds3

About methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate

methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate (PubChem CID 175123666) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate
PubChem CID175123666
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Namemethyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2cccc3ccccc23)c2ccccc2n1
InChIInChI=1S/C22H15NO3/c1-26-22(25)20-13-18(16-10-4-5-12-19(16)23-20)21(24)17-11-6-8-14-7-2-3-9-15(14)17/h2-13H,1H3
InChIKeyOGVRXIXOGJKIPS-UHFFFAOYSA-N
XLogP4.41
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-propan-2-ylquinoline-2-carboxylate
CID 138515929
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid
CID 174782525
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl acridine-1-carboxylate
CID 54560619
methyl 4-pentylquinoline-2-carboxylate
CID 174963802
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
methyl 4-(3-methoxy-3-oxopropyl)sulfanylquinoline-2-carboxylate
CID 15166991
methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
CID 53112962
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
dimethyl 6-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylate
CID 11089322
methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113238

Frequently Asked Questions

What is the IUPAC name of methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate?
The IUPAC name of methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate (CID 175123666) is methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate?
The canonical SMILES for methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate is COC(=O)c1cc(C(=O)c2cccc3ccccc23)c2ccccc2n1.
What is the InChIKey of methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate?
The InChIKey is OGVRXIXOGJKIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c1-26-22(25)20-13-18(16-10-4-5-12-19(16)23-20)21(24)17-11-6-8-14-7-2-3-9-15(14)17/h2-13H,1H3.
What are the key properties of methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate?
methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate is sourced from PubChem (CID 175123666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).