5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine

C14H15Cl2FN2 — CID 107579458

IUPAC5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine
SMILESCCCc1cc2c(Cl)c(F)c(Cl)cc2nc1NCC
InChIInChI=1S/C14H15Cl2FN2/c1-3-5-8-6-9-11(19-14(8)18-4-2)7-10(15)13(17)12(9)16/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyDJNQQYSSMWAVBM-UHFFFAOYSA-N
MW301.19 g/mol
LogP5.07
Rot. Bonds4

About 5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine

5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine (PubChem CID 107579458) has the molecular formula C14H15Cl2FN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine.

Molecular Properties

Compound Name5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine
PubChem CID107579458
Molecular FormulaC14H15Cl2FN2
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine
SMILESCCCc1cc2c(Cl)c(F)c(Cl)cc2nc1NCC
InChIInChI=1S/C14H15Cl2FN2/c1-3-5-8-6-9-11(19-14(8)18-4-2)7-10(15)13(17)12(9)16/h6-7H,3-5H2,1-2H3,(H,18,19)
InChIKeyDJNQQYSSMWAVBM-UHFFFAOYSA-N
XLogP5.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.19
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine
CID 107370736
2,5,7-trichloro-3-ethyl-6-fluoroquinoline
CID 107579425
N-ethyl-5,6,8-trifluoro-3-propylquinolin-2-amine
CID 55223170
N-ethyl-5,8-difluoro-6-methyl-3-propylquinolin-2-amine
CID 103587506
6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine
CID 55224113
N-ethyl-3-propylquinolin-2-amine
CID 63232591
(5,7-difluoro-3-propylquinolin-2-yl)hydrazine
CID 63232528
(6-chloro-7-fluoro-3-propylquinolin-2-yl)hydrazine
CID 103997017
8-chloro-N-ethyl-3-propylquinolin-2-amine
CID 55224873
N-ethyl-5-fluoro-8-methyl-3-propylquinolin-2-amine
CID 63523830
N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine
CID 63524536
3-tert-butyl-5-chloro-N-ethyl-7-fluoroquinolin-2-amine
CID 107370729

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine?
The IUPAC name of 5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine (CID 107579458) is 5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine.
What is the SMILES notation for 5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine?
The canonical SMILES for 5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine is CCCc1cc2c(Cl)c(F)c(Cl)cc2nc1NCC.
What is the InChIKey of 5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine?
The InChIKey is DJNQQYSSMWAVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2FN2/c1-3-5-8-6-9-11(19-14(8)18-4-2)7-10(15)13(17)12(9)16/h6-7H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine?
5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine has a molecular weight of 301.19 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-ethyl-6-fluoro-3-propylquinolin-2-amine is sourced from PubChem (CID 107579458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).