N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

C24H21N3O2 — CID 1173898

IUPACN-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(N)c3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O2/c1-15-7-10-17(13-21(15)25)26-24(28)20-14-23(16-8-11-18(29-2)12-9-16)27-22-6-4-3-5-19(20)22/h3-14H,25H2,1-2H3,(H,26,28)
InChIKeyXLIXHMLKHKYQPV-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.05
Rot. Bonds4

About N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 1173898) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID1173898
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C)c(N)c3)c3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O2/c1-15-7-10-17(13-21(15)25)26-24(28)20-14-23(16-8-11-18(29-2)12-9-16)27-22-6-4-3-5-19(20)22/h3-14H,25H2,1-2H3,(H,26,28)
InChIKeyXLIXHMLKHKYQPV-UHFFFAOYSA-N
XLogP5.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 1173898) is N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(N)c3)c3ccccc3n2)cc1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is XLIXHMLKHKYQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-15-7-10-17(13-21(15)25)26-24(28)20-14-23(16-8-11-18(29-2)12-9-16)27-22-6-4-3-5-19(20)22/h3-14H,25H2,1-2H3,(H,26,28).
What are the key properties of N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1173898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).