(1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine

C14H14Cl2FN3 — CID 107579086

IUPAC(1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
SMILESNNc1c2c(nc3cc(Cl)c(F)c(Cl)c13)CCCCC2
InChIInChI=1S/C14H14Cl2FN3/c15-8-6-10-11(12(16)13(8)17)14(20-18)7-4-2-1-3-5-9(7)19-10/h6H,1-5,18H2,(H,19,20)
InChIKeyVKEVIULHMYKQIQ-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.24
Rot. Bonds1

About (1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine

(1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine (PubChem CID 107579086) has the molecular formula C14H14Cl2FN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is (1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine.

Molecular Properties

Compound Name(1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
PubChem CID107579086
Molecular FormulaC14H14Cl2FN3
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name(1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
SMILESNNc1c2c(nc3cc(Cl)c(F)c(Cl)c13)CCCCC2
InChIInChI=1S/C14H14Cl2FN3/c15-8-6-10-11(12(16)13(8)17)14(20-18)7-4-2-1-3-5-9(7)19-10/h6H,1-5,18H2,(H,19,20)
InChIKeyVKEVIULHMYKQIQ-UHFFFAOYSA-N
XLogP4.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(8-chloro-6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 107370632
(6,8-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62250780
(5,6,8-trifluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62812081
(1-chloro-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 55195202
(1,3-dimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 63351753
(7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62251323
7,9-dichloro-N-cyclopropyl-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 107578873
(8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62250572
(4-chloro-2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 107607966
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 3658778
(7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 114002173
(7,9-dichloro-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-yl)hydrazine
CID 106473710

Frequently Asked Questions

What is the IUPAC name of (1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine?
The IUPAC name of (1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine (CID 107579086) is (1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine.
What is the SMILES notation for (1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine?
The canonical SMILES for (1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine is NNc1c2c(nc3cc(Cl)c(F)c(Cl)c13)CCCCC2.
What is the InChIKey of (1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine?
The InChIKey is VKEVIULHMYKQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3/c15-8-6-10-11(12(16)13(8)17)14(20-18)7-4-2-1-3-5-9(7)19-10/h6H,1-5,18H2,(H,19,20).
What are the key properties of (1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine?
(1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine has a molecular weight of 314.19 g/mol, XLogP of 4.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine is sourced from PubChem (CID 107579086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).