2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide

C26H24N2O3 — CID 1273223

IUPAC2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H24N2O3/c1-17(18-9-5-4-6-10-18)27-26(29)21-16-23(28-22-12-8-7-11-20(21)22)19-13-14-24(30-2)25(15-19)31-3/h4-17H,1-3H3,(H,27,29)/t17-/m0/s1
InChIKeyZSYBGTBHBSIKJC-KRWDZBQOSA-N
MW412.49 g/mol
LogP5.41
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide (PubChem CID 1273223) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
PubChem CID1273223
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1OC
InChIInChI=1S/C26H24N2O3/c1-17(18-9-5-4-6-10-18)27-26(29)21-16-23(28-22-12-8-7-11-20(21)22)19-13-14-24(30-2)25(15-19)31-3/h4-17H,1-3H3,(H,27,29)/t17-/m0/s1
InChIKeyZSYBGTBHBSIKJC-KRWDZBQOSA-N
XLogP5.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
N-[1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098159
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 92821447
N-propan-2-yl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 29198652
2-(2,5-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 2965771
N-[(2S)-1-[2-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 52507937
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261789
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]quinoline-4-carboxamide
CID 40875191
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3274863

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide (CID 1273223) is 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide?
The InChIKey is ZSYBGTBHBSIKJC-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17(18-9-5-4-6-10-18)27-26(29)21-16-23(28-22-12-8-7-11-20(21)22)19-13-14-24(30-2)25(15-19)31-3/h4-17H,1-3H3,(H,27,29)/t17-/m0/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide is sourced from PubChem (CID 1273223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).