N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine

C19H17FN2S — CID 110432458

IUPACN-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine
SMILESFc1ccc(CCNc2c3c(nc4ccccc24)CSC3)cc1
InChIInChI=1S/C19H17FN2S/c20-14-7-5-13(6-8-14)9-10-21-19-15-3-1-2-4-17(15)22-18-12-23-11-16(18)19/h1-8H,9-12H2,(H,21,22)
InChIKeyQRASVLJDZNOLHY-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.78
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine

N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine (PubChem CID 110432458) has the molecular formula C19H17FN2S and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine
PubChem CID110432458
Molecular FormulaC19H17FN2S
Molecular Weight324.42 g/mol
Exact Mass324.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine
SMILESFc1ccc(CCNc2c3c(nc4ccccc24)CSC3)cc1
InChIInChI=1S/C19H17FN2S/c20-14-7-5-13(6-8-14)9-10-21-19-15-3-1-2-4-17(15)22-18-12-23-11-16(18)19/h1-8H,9-12H2,(H,21,22)
InChIKeyQRASVLJDZNOLHY-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4,4-bis(4-fluorophenyl)butyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 54433537
2-[2-(4-fluorophenyl)ethylamino]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136780325
N-(2-methoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110435268
N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110432448
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
N-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110435291
4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
CID 53361168
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide
CID 68506824
2-N-[2-(4-fluorophenyl)ethyl]-4-N-[2-(4-methylpiperazin-1-yl)ethyl]quinazoline-2,4-diamine
CID 156820994

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine (CID 110432458) is N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine is Fc1ccc(CCNc2c3c(nc4ccccc24)CSC3)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
The InChIKey is QRASVLJDZNOLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2S/c20-14-7-5-13(6-8-14)9-10-21-19-15-3-1-2-4-17(15)22-18-12-23-11-16(18)19/h1-8H,9-12H2,(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine has a molecular weight of 324.42 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine is sourced from PubChem (CID 110432458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).