7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C18H14ClFN2 — CID 15993644

IUPAC7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESFc1ccccc1Nc1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C18H14ClFN2/c19-11-8-9-16-13(10-11)18(12-4-3-7-15(12)21-16)22-17-6-2-1-5-14(17)20/h1-2,5-6,8-10H,3-4,7H2,(H,21,22)
InChIKeySYGGKEBPPGOCHQ-UHFFFAOYSA-N
MW312.78 g/mol
LogP5.26
Rot. Bonds2

About 7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 15993644) has the molecular formula C18H14ClFN2 and a molecular weight of 312.78 g/mol. Its IUPAC name is 7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound Name7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID15993644
Molecular FormulaC18H14ClFN2
Molecular Weight312.78 g/mol
Exact Mass312.08
IUPAC Name7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESFc1ccccc1Nc1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C18H14ClFN2/c19-11-8-9-16-13(10-11)18(12-4-3-7-15(12)21-16)22-17-6-2-1-5-14(17)20/h1-2,5-6,8-10H,3-4,7H2,(H,21,22)
InChIKeySYGGKEBPPGOCHQ-UHFFFAOYSA-N
XLogP5.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.78
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of 7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 15993644) is 7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for 7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for 7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is Fc1ccccc1Nc1c2c(nc3ccc(Cl)cc13)CCC2.
What is the InChIKey of 7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is SYGGKEBPPGOCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2/c19-11-8-9-16-13(10-11)18(12-4-3-7-15(12)21-16)22-17-6-2-1-5-14(17)20/h1-2,5-6,8-10H,3-4,7H2,(H,21,22).
What are the key properties of 7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 312.78 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-fluorophenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 15993644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).