4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine

C22H18ClFN4 — CID 141161256

IUPAC4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine
SMILESCc1cc(Nc2ccc(F)c(Cl)c2)c2cc(NCc3cccnc3)ccc2n1
InChIInChI=1S/C22H18ClFN4/c1-14-9-22(28-17-4-6-20(24)19(23)11-17)18-10-16(5-7-21(18)27-14)26-13-15-3-2-8-25-12-15/h2-12,26H,13H2,1H3,(H,27,28)
InChIKeyFRXFWKGBCDSCAH-UHFFFAOYSA-N
MW392.87 g/mol
LogP6.09
Rot. Bonds5

About 4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine

4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine (PubChem CID 141161256) has the molecular formula C22H18ClFN4 and a molecular weight of 392.87 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine
PubChem CID141161256
Molecular FormulaC22H18ClFN4
Molecular Weight392.87 g/mol
Exact Mass392.12
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine
SMILESCc1cc(Nc2ccc(F)c(Cl)c2)c2cc(NCc3cccnc3)ccc2n1
InChIInChI=1S/C22H18ClFN4/c1-14-9-22(28-17-4-6-20(24)19(23)11-17)18-10-16(5-7-21(18)27-14)26-13-15-3-2-8-25-12-15/h2-12,26H,13H2,1H3,(H,27,28)
InChIKeyFRXFWKGBCDSCAH-UHFFFAOYSA-N
XLogP6.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.87
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)-8-methoxy-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine
CID 141161304
7-chloro-2-methyl-N-(pyridin-3-ylmethyl)quinolin-4-amine
CID 719910
N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 110435673
6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine
CID 730833
2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330048
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
4-(3-chloro-4-fluoroanilino)-7-methyl-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile
CID 69259031
2-N-(4-chlorophenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919484
2-(5-chloro-2-fluorophenyl)-N-(pyridin-3-ylmethyl)quinolin-4-amine
CID 70660144
2-chloro-4-(pyridin-3-ylmethylamino)benzoic acid
CID 16767368
6-chloro-2-methyl-N-(4-methylphenyl)quinolin-4-amine
CID 730830
4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 54943459

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine (CID 141161256) is 4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine is Cc1cc(Nc2ccc(F)c(Cl)c2)c2cc(NCc3cccnc3)ccc2n1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine?
The InChIKey is FRXFWKGBCDSCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4/c1-14-9-22(28-17-4-6-20(24)19(23)11-17)18-10-16(5-7-21(18)27-14)26-13-15-3-2-8-25-12-15/h2-12,26H,13H2,1H3,(H,27,28).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine?
4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine has a molecular weight of 392.87 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine is sourced from PubChem (CID 141161256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).