N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

C25H21ClN2O3 — CID 1220190

IUPACN-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)cc1OC
InChIInChI=1S/C25H21ClN2O3/c1-15-19(26)8-6-10-20(15)28-25(29)18-14-22(27-21-9-5-4-7-17(18)21)16-11-12-23(30-2)24(13-16)31-3/h4-14H,1-3H3,(H,28,29)
InChIKeyRXNCSGNDQSSCAZ-UHFFFAOYSA-N
MW432.91 g/mol
LogP6.13
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 1220190) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID1220190
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)cc1OC
InChIInChI=1S/C25H21ClN2O3/c1-15-19(26)8-6-10-20(15)28-25(29)18-14-22(27-21-9-5-4-7-17(18)21)16-11-12-23(30-2)24(13-16)31-3/h4-14H,1-3H3,(H,28,29)
InChIKeyRXNCSGNDQSSCAZ-UHFFFAOYSA-N
XLogP6.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (CID 1220190) is N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)cc1OC.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is RXNCSGNDQSSCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-15-19(26)8-6-10-20(15)28-25(29)18-14-22(27-21-9-5-4-7-17(18)21)16-11-12-23(30-2)24(13-16)31-3/h4-14H,1-3H3,(H,28,29).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 432.91 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1220190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).