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

C25H21ClN2O3 — CID 1220614

IUPACN-(3-chloro-4-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3n2)cc1OC
InChIInChI=1S/C25H21ClN2O3/c1-15-8-10-17(13-20(15)26)27-25(29)19-14-22(28-21-7-5-4-6-18(19)21)16-9-11-23(30-2)24(12-16)31-3/h4-14H,1-3H3,(H,27,29)
InChIKeyQLHOMQCKIKXUEM-UHFFFAOYSA-N
MW432.91 g/mol
LogP6.13
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 1220614) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID1220614
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3n2)cc1OC
InChIInChI=1S/C25H21ClN2O3/c1-15-8-10-17(13-20(15)26)27-25(29)19-14-22(28-21-7-5-4-6-18(19)21)16-9-11-23(30-2)24(12-16)31-3/h4-14H,1-3H3,(H,27,29)
InChIKeyQLHOMQCKIKXUEM-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-4-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (CID 1220614) is N-(3-chloro-4-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3n2)cc1OC.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is QLHOMQCKIKXUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-15-8-10-17(13-20(15)26)27-25(29)19-14-22(28-21-7-5-4-6-18(19)21)16-9-11-23(30-2)24(12-16)31-3/h4-14H,1-3H3,(H,27,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
N-(3-chloro-4-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-4-methylphenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1220614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).