N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide

C26H24N2O3 — CID 2220812

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC
InChIInChI=1S/C26H24N2O3/c1-17(19-13-14-24(30-2)25(15-19)31-3)27-26(29)21-16-23(18-9-5-4-6-10-18)28-22-12-8-7-11-20(21)22/h4-17H,1-3H3,(H,27,29)/t17-/m1/s1
InChIKeyDXMBDDZMVBTORJ-QGZVFWFLSA-N
MW412.49 g/mol
LogP5.41
Rot. Bonds6

About N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 2220812) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
PubChem CID2220812
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC
InChIInChI=1S/C26H24N2O3/c1-17(19-13-14-24(30-2)25(15-19)31-3)27-26(29)21-16-23(18-9-5-4-6-10-18)28-22-12-8-7-11-20(21)22/h4-17H,1-3H3,(H,27,29)/t17-/m1/s1
InChIKeyDXMBDDZMVBTORJ-QGZVFWFLSA-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

2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
2-(2,5-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 2965771
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261789
N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55819706
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
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220497
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 1257075
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 7028903
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 16574262
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]quinoline-4-carboxamide
CID 40875191
2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide
CID 55797712

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide (CID 2220812) is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is DXMBDDZMVBTORJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17(19-13-14-24(30-2)25(15-19)31-3)27-26(29)21-16-23(18-9-5-4-6-10-18)28-22-12-8-7-11-20(21)22/h4-17H,1-3H3,(H,27,29)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide?
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-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 N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 2220812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).