N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C14H14FIN2 — CID 79771313

IUPACN-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCCNc1c2c(nc3c(I)cc(F)cc13)CCC2
InChIInChI=1S/C14H14FIN2/c1-2-17-13-9-4-3-5-12(9)18-14-10(13)6-8(15)7-11(14)16/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeySIPQIFGGOIBVBB-UHFFFAOYSA-N
MW356.18 g/mol
LogP3.90
Rot. Bonds2

About N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 79771313) has the molecular formula C14H14FIN2 and a molecular weight of 356.18 g/mol. Its IUPAC name is N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound NameN-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID79771313
Molecular FormulaC14H14FIN2
Molecular Weight356.18 g/mol
Exact Mass356.02
IUPAC NameN-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCCNc1c2c(nc3c(I)cc(F)cc13)CCC2
InChIInChI=1S/C14H14FIN2/c1-2-17-13-9-4-3-5-12(9)18-14-10(13)6-8(15)7-11(14)16/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeySIPQIFGGOIBVBB-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-4-iodo-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 79761506
5,7-difluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 55045655
2-fluoro-4-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63479739
4-chloro-2-fluoro-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63479762
7-fluoro-5-methoxy-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63482755
7-chloro-5-iodo-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 107628867
8-chloro-N-ethyl-6-iodo-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-amine
CID 107628895
5-bromo-N-ethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 63479623
N-ethyl-5,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 55196533
4-fluoro-2-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480102
N,2-diethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63480907
N-ethyl-7-pyrrolidin-1-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 63180941

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 79771313) is N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is CCNc1c2c(nc3c(I)cc(F)cc13)CCC2.
What is the InChIKey of N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is SIPQIFGGOIBVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIN2/c1-2-17-13-9-4-3-5-12(9)18-14-10(13)6-8(15)7-11(14)16/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 356.18 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-fluoro-5-iodo-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 79771313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).