N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine

C18H16N2S — CID 110435258

IUPACN-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
SMILESCc1cccc(Nc2c3c(nc4ccccc24)CSC3)c1
InChIInChI=1S/C18H16N2S/c1-12-5-4-6-13(9-12)19-18-14-7-2-3-8-16(14)20-17-11-21-10-15(17)18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyNCNHGNAZHBGPEN-UHFFFAOYSA-N
MW292.41 g/mol
LogP5.03
Rot. Bonds2

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

N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine (PubChem CID 110435258) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
PubChem CID110435258
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC NameN-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
SMILESCc1cccc(Nc2c3c(nc4ccccc24)CSC3)c1
InChIInChI=1S/C18H16N2S/c1-12-5-4-6-13(9-12)19-18-14-7-2-3-8-16(14)20-17-11-21-10-15(17)18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyNCNHGNAZHBGPEN-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-12-azatricyclo[9.8.0.013,18]nonadeca-1(19),11,13,15,17-pentaen-19-amine
CID 134912890
methyl 4-(1,3-dihydrothieno[3,4-b]quinolin-9-ylamino)benzoate
CID 110435280
N-(2-methoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110435268
N-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110435291
2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid
CID 110435349
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
N-[2-(4-fluorophenyl)ethyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110432458
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N,N-dipropyl-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110433974
N-[4,4-bis(4-fluorophenyl)butyl]-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 54433537
2-[4-(3-methylanilino)quinolin-2-yl]acetic acid
CID 110435464
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
The IUPAC name of N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine (CID 110435258) is N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine.
What is the SMILES notation for N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
The canonical SMILES for N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine is Cc1cccc(Nc2c3c(nc4ccccc24)CSC3)c1.
What is the InChIKey of N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
The InChIKey is NCNHGNAZHBGPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c1-12-5-4-6-13(9-12)19-18-14-7-2-3-8-16(14)20-17-11-21-10-15(17)18/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine has a molecular weight of 292.41 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine is sourced from PubChem (CID 110435258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).