N-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine

C22H16ClF2N3 — CID 90725700

IUPACN-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine
SMILESCc1ccc(N(Cc2ccnc3c(F)c(F)ccc23)c2cccc(Cl)c2)nc1
InChIInChI=1S/C22H16ClF2N3/c1-14-5-8-20(27-12-14)28(17-4-2-3-16(23)11-17)13-15-9-10-26-22-18(15)6-7-19(24)21(22)25/h2-12H,13H2,1H3
InChIKeyHFWJGRZEJUNGKE-UHFFFAOYSA-N
MW395.84 g/mol
LogP6.21
Rot. Bonds4

About N-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine

N-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine (PubChem CID 90725700) has the molecular formula C22H16ClF2N3 and a molecular weight of 395.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine
PubChem CID90725700
Molecular FormulaC22H16ClF2N3
Molecular Weight395.84 g/mol
Exact Mass395.10
IUPAC NameN-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine
SMILESCc1ccc(N(Cc2ccnc3c(F)c(F)ccc23)c2cccc(Cl)c2)nc1
InChIInChI=1S/C22H16ClF2N3/c1-14-5-8-20(27-12-14)28(17-4-2-3-16(23)11-17)13-15-9-10-26-22-18(15)6-7-19(24)21(22)25/h2-12H,13H2,1H3
InChIKeyHFWJGRZEJUNGKE-UHFFFAOYSA-N
XLogP6.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.84
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine (CID 90725700) is N-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine is Cc1ccc(N(Cc2ccnc3c(F)c(F)ccc23)c2cccc(Cl)c2)nc1.
What is the InChIKey of N-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine?
The InChIKey is HFWJGRZEJUNGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N3/c1-14-5-8-20(27-12-14)28(17-4-2-3-16(23)11-17)13-15-9-10-26-22-18(15)6-7-19(24)21(22)25/h2-12H,13H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine?
N-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine has a molecular weight of 395.84 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(7,8-difluoroquinolin-4-yl)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 90725700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).