N-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

C24H19ClN2O3 — CID 1221352

IUPACN-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H19ClN2O3/c1-29-22-12-11-15(13-23(22)30-2)21-14-17(16-7-3-5-9-19(16)26-21)24(28)27-20-10-6-4-8-18(20)25/h3-14H,1-2H3,(H,27,28)
InChIKeyMYBARRVGFSIDQS-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.82
Rot. Bonds5

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

N-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 1221352) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID1221352
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC NameN-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H19ClN2O3/c1-29-22-12-11-15(13-23(22)30-2)21-14-17(16-7-3-5-9-19(16)26-21)24(28)27-20-10-6-4-8-18(20)25/h3-14H,1-2H3,(H,27,28)
InChIKeyMYBARRVGFSIDQS-UHFFFAOYSA-N
XLogP5.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (CID 1221352) is N-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1OC.
What is the InChIKey of N-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is MYBARRVGFSIDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c1-29-22-12-11-15(13-23(22)30-2)21-14-17(16-7-3-5-9-19(16)26-21)24(28)27-20-10-6-4-8-18(20)25/h3-14H,1-2H3,(H,27,28).
What are the key properties of N-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
N-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1221352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).