7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine

C19H18ClFN2O — CID 166376547

IUPAC7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine
SMILESCCC(CNc1ccnc2cc(Cl)ccc12)Oc1ccccc1F
InChIInChI=1S/C19H18ClFN2O/c1-2-14(24-19-6-4-3-5-16(19)21)12-23-17-9-10-22-18-11-13(20)7-8-15(17)18/h3-11,14H,2,12H2,1H3,(H,22,23)
InChIKeyQFCUHLGIMRCESZ-UHFFFAOYSA-N
MW344.82 g/mol
LogP5.30
Rot. Bonds6

About 7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine

7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine (PubChem CID 166376547) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is 7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine
PubChem CID166376547
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC Name7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine
SMILESCCC(CNc1ccnc2cc(Cl)ccc12)Oc1ccccc1F
InChIInChI=1S/C19H18ClFN2O/c1-2-14(24-19-6-4-3-5-16(19)21)12-23-17-9-10-22-18-11-13(20)7-8-15(17)18/h3-11,14H,2,12H2,1H3,(H,22,23)
InChIKeyQFCUHLGIMRCESZ-UHFFFAOYSA-N
XLogP5.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.82
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol
CID 133351580
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950
N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine
CID 63120842
3-[[(7-chloroquinolin-4-yl)amino]methyl]hexan-1-ol
CID 103705122
CID 53360585
CID 53360585
1-N-(7-chloroquinolin-4-yl)-4,4-dimethylpentane-1,2-diamine
CID 107159058
N-butyl-7-chloroquinolin-4-amine
CID 10037042
2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid
CID 65224478
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
(2R)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590558
(2S)-2-[(7-chloroquinolin-4-yl)amino]butan-1-ol
CID 44590559

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine (CID 166376547) is 7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine is CCC(CNc1ccnc2cc(Cl)ccc12)Oc1ccccc1F.
What is the InChIKey of 7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine?
The InChIKey is QFCUHLGIMRCESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c1-2-14(24-19-6-4-3-5-16(19)21)12-23-17-9-10-22-18-11-13(20)7-8-15(17)18/h3-11,14H,2,12H2,1H3,(H,22,23).
What are the key properties of 7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine?
7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine has a molecular weight of 344.82 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(2-fluorophenoxy)butyl]quinolin-4-amine is sourced from PubChem (CID 166376547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).