4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine

C15H10Cl2FN3 — CID 133297743

IUPAC4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine
SMILESFc1c(NCc2ccc(Cl)nc2)ccc2c(Cl)ccnc12
InChIInChI=1S/C15H10Cl2FN3/c16-11-5-6-19-15-10(11)2-3-12(14(15)18)20-7-9-1-4-13(17)21-8-9/h1-6,8,20H,7H2
InChIKeyLKEXQTXRTUEMBN-UHFFFAOYSA-N
MW322.17 g/mol
LogP4.69
Rot. Bonds3

About 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine

4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine (PubChem CID 133297743) has the molecular formula C15H10Cl2FN3 and a molecular weight of 322.17 g/mol. Its IUPAC name is 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine.

Molecular Properties

Compound Name4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine
PubChem CID133297743
Molecular FormulaC15H10Cl2FN3
Molecular Weight322.17 g/mol
Exact Mass321.02
IUPAC Name4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine
SMILESFc1c(NCc2ccc(Cl)nc2)ccc2c(Cl)ccnc12
InChIInChI=1S/C15H10Cl2FN3/c16-11-5-6-19-15-10(11)2-3-12(14(15)18)20-7-9-1-4-13(17)21-8-9/h1-6,8,20H,7H2
InChIKeyLKEXQTXRTUEMBN-UHFFFAOYSA-N
XLogP4.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-2,3,4-trifluoroaniline
CID 163207536
4-chloro-8-fluoro-N-[(3-nitrophenyl)methyl]quinolin-7-amine
CID 133299263
2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-(2-fluorophenyl)ethanol
CID 133351591
N-[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]ethyl]cyclopropanecarboxamide
CID 133305761
4-chloro-8-fluoro-N-[2-(2-methylsulfonylethoxy)ethyl]quinolin-7-amine
CID 133354034
N-[(6-chloro-3-pyridinyl)methyl]-2-methylpyridin-3-amine
CID 115748626
4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine
CID 133347573
N-[3-[[(4-chloro-8-fluoroquinolin-7-yl)amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 133297848
5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788
4-chloro-8-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]quinolin-7-amine
CID 133337191
[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol
CID 133328011
N-[(3,4-dichlorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28546142

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine?
The IUPAC name of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine (CID 133297743) is 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine.
What is the SMILES notation for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine?
The canonical SMILES for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine is Fc1c(NCc2ccc(Cl)nc2)ccc2c(Cl)ccnc12.
What is the InChIKey of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine?
The InChIKey is LKEXQTXRTUEMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3/c16-11-5-6-19-15-10(11)2-3-12(14(15)18)20-7-9-1-4-13(17)21-8-9/h1-6,8,20H,7H2.
What are the key properties of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine?
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine has a molecular weight of 322.17 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-8-fluoroquinolin-7-amine is sourced from PubChem (CID 133297743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).