methyl 2-(4-propylphenyl)quinoline-4-carboxylate

C20H19NO2 — CID 841962

IUPACmethyl 2-(4-propylphenyl)quinoline-4-carboxylate
SMILESCCCc1ccc(-c2cc(C(=O)OC)c3ccccc3n2)cc1
InChIInChI=1S/C20H19NO2/c1-3-6-14-9-11-15(12-10-14)19-13-17(20(22)23-2)16-7-4-5-8-18(16)21-19/h4-5,7-13H,3,6H2,1-2H3
InChIKeyYAZRQIGFQSCHBM-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.64
Rot. Bonds4

About methyl 2-(4-propylphenyl)quinoline-4-carboxylate

methyl 2-(4-propylphenyl)quinoline-4-carboxylate (PubChem CID 841962) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 2-(4-propylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-propylphenyl)quinoline-4-carboxylate
PubChem CID841962
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Namemethyl 2-(4-propylphenyl)quinoline-4-carboxylate
SMILESCCCc1ccc(-c2cc(C(=O)OC)c3ccccc3n2)cc1
InChIInChI=1S/C20H19NO2/c1-3-6-14-9-11-15(12-10-14)19-13-17(20(22)23-2)16-7-4-5-8-18(16)21-19/h4-5,7-13H,3,6H2,1-2H3
InChIKeyYAZRQIGFQSCHBM-UHFFFAOYSA-N
XLogP4.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693
N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1261381
(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3995735
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 2369162
(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7866939
methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
CID 168525532
methyl 2-(4-isocyanatophenyl)quinoline-4-carboxylate
CID 169352943
methyl 2-(4-azidophenyl)quinoline-4-carboxylate
CID 169325072
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1257098
2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 5455020

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-propylphenyl)quinoline-4-carboxylate?
The IUPAC name of methyl 2-(4-propylphenyl)quinoline-4-carboxylate (CID 841962) is methyl 2-(4-propylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 2-(4-propylphenyl)quinoline-4-carboxylate?
The canonical SMILES for methyl 2-(4-propylphenyl)quinoline-4-carboxylate is CCCc1ccc(-c2cc(C(=O)OC)c3ccccc3n2)cc1.
What is the InChIKey of methyl 2-(4-propylphenyl)quinoline-4-carboxylate?
The InChIKey is YAZRQIGFQSCHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-3-6-14-9-11-15(12-10-14)19-13-17(20(22)23-2)16-7-4-5-8-18(16)21-19/h4-5,7-13H,3,6H2,1-2H3.
What are the key properties of methyl 2-(4-propylphenyl)quinoline-4-carboxylate?
methyl 2-(4-propylphenyl)quinoline-4-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-propylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 841962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).