7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine

C17H14ClFN2 — CID 3711195

IUPAC7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine
SMILESCc1cc(NCc2ccc(F)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C17H14ClFN2/c1-11-8-17(20-10-12-2-5-14(19)6-3-12)21-16-9-13(18)4-7-15(11)16/h2-9H,10H2,1H3,(H,20,21)
InChIKeyZBJWTDUYHOTWSB-UHFFFAOYSA-N
MW300.76 g/mol
LogP4.95
Rot. Bonds3

About 7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine

7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine (PubChem CID 3711195) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine.

Molecular Properties

Compound Name7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine
PubChem CID3711195
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine
SMILESCc1cc(NCc2ccc(F)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C17H14ClFN2/c1-11-8-17(20-10-12-2-5-14(19)6-3-12)21-16-9-13(18)4-7-15(11)16/h2-9H,10H2,1H3,(H,20,21)
InChIKeyZBJWTDUYHOTWSB-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine?
The IUPAC name of 7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine (CID 3711195) is 7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine.
What is the SMILES notation for 7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine?
The canonical SMILES for 7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine is Cc1cc(NCc2ccc(F)cc2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine?
The InChIKey is ZBJWTDUYHOTWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-11-8-17(20-10-12-2-5-14(19)6-3-12)21-16-9-13(18)4-7-15(11)16/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine?
7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine has a molecular weight of 300.76 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-fluorophenyl)methyl]-4-methylquinolin-2-amine is sourced from PubChem (CID 3711195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).