methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate

C22H17NO2 — CID 91689285

IUPACmethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)c3ccccc23)nc2ccccc12
InChIInChI=1S/C22H17NO2/c1-14-11-12-18(16-8-4-3-7-15(14)16)21-13-19(22(24)25-2)17-9-5-6-10-20(17)23-21/h3-13H,1-2H3
InChIKeyCXJQQPCKNKFKET-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.15
Rot. Bonds2

About methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate

methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate (PubChem CID 91689285) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
PubChem CID91689285
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Namemethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)c3ccccc23)nc2ccccc12
InChIInChI=1S/C22H17NO2/c1-14-11-12-18(16-8-4-3-7-15(14)16)21-13-19(22(24)25-2)17-9-5-6-10-20(17)23-21/h3-13H,1-2H3
InChIKeyCXJQQPCKNKFKET-UHFFFAOYSA-N
XLogP5.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689284
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
copper;dioxotitanium;methyl 2-(4-methoxycarbonylquinolin-2-yl)quinoline-4-carboxylate;2-quinolin-2-ylquinoline
CID 158944802
[2-(carbamoylamino)-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 42971764
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
CID 168525532
methyl 2-(4-isocyanatophenyl)quinoline-4-carboxylate
CID 169352943
methyl 3-[[2-(2,5-dimethylphenyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate
CID 1012487
methyl 2-ethenylquinoline-4-carboxylate
CID 150736988
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate?
The IUPAC name of methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate (CID 91689285) is methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate?
The canonical SMILES for methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate is COC(=O)c1cc(-c2ccc(C)c3ccccc23)nc2ccccc12.
What is the InChIKey of methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate?
The InChIKey is CXJQQPCKNKFKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-14-11-12-18(16-8-4-3-7-15(14)16)21-13-19(22(24)25-2)17-9-5-6-10-20(17)23-21/h3-13H,1-2H3.
What are the key properties of methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate?
methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate is sourced from PubChem (CID 91689285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).