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

C16H12ClFN2 — CID 114841721

IUPACN-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
SMILESFc1cc(Cl)ccc1CNc1cnc2ccccc2c1
InChIInChI=1S/C16H12ClFN2/c17-13-6-5-12(15(18)8-13)9-19-14-7-11-3-1-2-4-16(11)20-10-14/h1-8,10,19H,9H2
InChIKeyPSIRRVDAUCCXAW-UHFFFAOYSA-N
MW286.74 g/mol
LogP4.64
Rot. Bonds3

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

N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine (PubChem CID 114841721) has the molecular formula C16H12ClFN2 and a molecular weight of 286.74 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
PubChem CID114841721
Molecular FormulaC16H12ClFN2
Molecular Weight286.74 g/mol
Exact Mass286.07
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine
SMILESFc1cc(Cl)ccc1CNc1cnc2ccccc2c1
InChIInChI=1S/C16H12ClFN2/c17-13-6-5-12(15(18)8-13)9-19-14-7-11-3-1-2-4-16(11)20-10-14/h1-8,10,19H,9H2
InChIKeyPSIRRVDAUCCXAW-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[(quinolin-3-ylamino)methyl]phenol
CID 115951211
N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 102609742
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
CID 104877930
CID 70701405
CID 70701405
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine
CID 63644523
N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine
CID 81436143
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
2-[(quinolin-3-ylamino)methyl]benzonitrile
CID 104694112
N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine
CID 43691132
N-(3-chloro-4-fluorophenyl)quinolin-3-amine
CID 82536187
N-(5-chloro-3-fluoro-2-pyridinyl)quinolin-3-amine
CID 79728611
N-[(4-bromothiophen-3-yl)methyl]quinolin-3-amine
CID 112739629

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine (CID 114841721) is N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine is Fc1cc(Cl)ccc1CNc1cnc2ccccc2c1.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine?
The InChIKey is PSIRRVDAUCCXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2/c17-13-6-5-12(15(18)8-13)9-19-14-7-11-3-1-2-4-16(11)20-10-14/h1-8,10,19H,9H2.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine?
N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine has a molecular weight of 286.74 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]quinolin-3-amine is sourced from PubChem (CID 114841721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).