4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine

C15H15ClFN3 — CID 103552452

IUPAC4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine
SMILESNc1cc(N)c(N2CCCc3ccccc32)c(F)c1Cl
InChIInChI=1S/C15H15ClFN3/c16-13-10(18)8-11(19)15(14(13)17)20-7-3-5-9-4-1-2-6-12(9)20/h1-2,4,6,8H,3,5,7,18-19H2
InChIKeyZJUIEQQUQAREHV-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.73
Rot. Bonds1

About 4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine

4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine (PubChem CID 103552452) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine
PubChem CID103552452
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine
SMILESNc1cc(N)c(N2CCCc3ccccc32)c(F)c1Cl
InChIInChI=1S/C15H15ClFN3/c16-13-10(18)8-11(19)15(14(13)17)20-7-3-5-9-4-1-2-6-12(9)20/h1-2,4,6,8H,3,5,7,18-19H2
InChIKeyZJUIEQQUQAREHV-UHFFFAOYSA-N
XLogP3.73
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-yl)-3,5-difluorobenzoic acid
CID 63537981
4-(3,4-dihydro-2H-quinolin-1-yl)-2,3-difluorobenzenecarbothioamide
CID 107934465
1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline
CID 28946417
3-amino-4-(3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989495
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
4-chloro-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorobenzene-1,3-diamine
CID 103552446
1-[2-chloro-4-(chloromethyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 81152279
[6-(3,4-dihydro-2H-quinolin-1-yl)-3,5-difluoro-2-pyridinyl]hydrazine
CID 114073397
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine
CID 43188883
4-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63511425
4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorobenzonitrile
CID 43657235
5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 55195565

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine?
The IUPAC name of 4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine (CID 103552452) is 4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine.
What is the SMILES notation for 4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine?
The canonical SMILES for 4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine is Nc1cc(N)c(N2CCCc3ccccc32)c(F)c1Cl.
What is the InChIKey of 4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine?
The InChIKey is ZJUIEQQUQAREHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3/c16-13-10(18)8-11(19)15(14(13)17)20-7-3-5-9-4-1-2-6-12(9)20/h1-2,4,6,8H,3,5,7,18-19H2.
What are the key properties of 4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine?
4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine has a molecular weight of 291.76 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-5-fluorobenzene-1,3-diamine is sourced from PubChem (CID 103552452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).