N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine

C20H17N3S — CID 143597567

IUPACN-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine
SMILESCc1cnc2ccc3c(c2c1Nc1ccc2cc[nH]c2c1)CCS3
InChIInChI=1S/C20H17N3S/c1-12-11-22-16-4-5-18-15(7-9-24-18)19(16)20(12)23-14-3-2-13-6-8-21-17(13)10-14/h2-6,8,10-11,21H,7,9H2,1H3,(H,22,23)
InChIKeyKLBQPCJLEGAYCC-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.42
Rot. Bonds2

About N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine

N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine (PubChem CID 143597567) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine
PubChem CID143597567
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC NameN-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine
SMILESCc1cnc2ccc3c(c2c1Nc1ccc2cc[nH]c2c1)CCS3
InChIInChI=1S/C20H17N3S/c1-12-11-22-16-4-5-18-15(7-9-24-18)19(16)20(12)23-14-3-2-13-6-8-21-17(13)10-14/h2-6,8,10-11,21H,7,9H2,1H3,(H,22,23)
InChIKeyKLBQPCJLEGAYCC-UHFFFAOYSA-N
XLogP5.42
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine?
The IUPAC name of N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine (CID 143597567) is N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine.
What is the SMILES notation for N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine?
The canonical SMILES for N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine is Cc1cnc2ccc3c(c2c1Nc1ccc2cc[nH]c2c1)CCS3.
What is the InChIKey of N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine?
The InChIKey is KLBQPCJLEGAYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-12-11-22-16-4-5-18-15(7-9-24-18)19(16)20(12)23-14-3-2-13-6-8-21-17(13)10-14/h2-6,8,10-11,21H,7,9H2,1H3,(H,22,23).
What are the key properties of N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine?
N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine has a molecular weight of 331.44 g/mol, XLogP of 5.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-8-methyl-1,2-dihydrothieno[3,2-f]quinolin-9-amine is sourced from PubChem (CID 143597567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).