6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine

C23H19ClFN3 — CID 145244523

IUPAC6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine
SMILESNCc1ccc(-c2ccc3ncc(Cl)c(NCc4ccccc4F)c3c2)cc1
InChIInChI=1S/C23H19ClFN3/c24-20-14-27-22-10-9-17(16-7-5-15(12-26)6-8-16)11-19(22)23(20)28-13-18-3-1-2-4-21(18)25/h1-11,14H,12-13,26H2,(H,27,28)
InChIKeyVJRPTNPVAWMGSH-UHFFFAOYSA-N
MW391.88 g/mol
LogP5.77
Rot. Bonds5

About 6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine

6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine (PubChem CID 145244523) has the molecular formula C23H19ClFN3 and a molecular weight of 391.88 g/mol. Its IUPAC name is 6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine
PubChem CID145244523
Molecular FormulaC23H19ClFN3
Molecular Weight391.88 g/mol
Exact Mass391.13
IUPAC Name6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine
SMILESNCc1ccc(-c2ccc3ncc(Cl)c(NCc4ccccc4F)c3c2)cc1
InChIInChI=1S/C23H19ClFN3/c24-20-14-27-22-10-9-17(16-7-5-15(12-26)6-8-16)11-19(22)23(20)28-13-18-3-1-2-4-21(18)25/h1-11,14H,12-13,26H2,(H,27,28)
InChIKeyVJRPTNPVAWMGSH-UHFFFAOYSA-N
XLogP5.77
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.88
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-[3-chloro-4-[(2-fluorophenyl)methylamino]quinolin-6-yl]pyrimidin-2-yl]amino]propanamide
CID 145244634
6-bromo-3-chloro-5-fluoro-N-[(2-fluorophenyl)methyl]quinolin-4-amine
CID 145244439
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
5-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine
CID 114285819
2-[5-[3-chloro-4-[[2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
CID 126532018
3-amino-3-[4-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]phenyl]cyclobutan-1-ol
CID 126531121
2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050780
4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
CID 64590253
[4-(6,7-dichloro-3-phenylquinoxalin-2-yl)phenyl]methanamine
CID 58524219
4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine
CID 103963319
3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine
CID 126532026
3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride
CID 68604070

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine?
The IUPAC name of 6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine (CID 145244523) is 6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine.
What is the SMILES notation for 6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine?
The canonical SMILES for 6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine is NCc1ccc(-c2ccc3ncc(Cl)c(NCc4ccccc4F)c3c2)cc1.
What is the InChIKey of 6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine?
The InChIKey is VJRPTNPVAWMGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3/c24-20-14-27-22-10-9-17(16-7-5-15(12-26)6-8-16)11-19(22)23(20)28-13-18-3-1-2-4-21(18)25/h1-11,14H,12-13,26H2,(H,27,28).
What are the key properties of 6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine?
6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine has a molecular weight of 391.88 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)phenyl]-3-chloro-N-[(2-fluorophenyl)methyl]quinolin-4-amine is sourced from PubChem (CID 145244523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).