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

C20H20N2OS — CID 110435291

IUPACN-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
SMILESCCCOc1ccccc1Nc1c2c(nc3ccccc13)CSC2
InChIInChI=1S/C20H20N2OS/c1-2-11-23-19-10-6-5-9-17(19)22-20-14-7-3-4-8-16(14)21-18-13-24-12-15(18)20/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyXUBPGVNVUJTURH-UHFFFAOYSA-N
MW336.46 g/mol
LogP5.51
Rot. Bonds5

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

N-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine (PubChem CID 110435291) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine.

Molecular Properties

Compound NameN-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
PubChem CID110435291
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
SMILESCCCOc1ccccc1Nc1c2c(nc3ccccc13)CSC2
InChIInChI=1S/C20H20N2OS/c1-2-11-23-19-10-6-5-9-17(19)22-20-14-7-3-4-8-16(14)21-18-13-24-12-15(18)20/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyXUBPGVNVUJTURH-UHFFFAOYSA-N
XLogP5.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110435268
N-[2-[9-[2-(acridin-9-ylamino)phenoxy]nonoxy]phenyl]acridin-9-amine;dihydrochloride
CID 138401067
N-[2-[7-[2-(acridin-9-ylamino)phenoxy]heptoxy]phenyl]acridin-9-amine;hydrochloride
CID 90680004
N-(2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 720949
N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110435258
N-(1-phenylethyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110432448
N,N-dipropyl-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110433974
N,N'-bis(4-propoxyacridin-9-yl)butane-1,4-diamine
CID 21198496
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63426599
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyaniline
CID 62748401
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
The IUPAC name of N-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine (CID 110435291) is N-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine.
What is the SMILES notation for N-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
The canonical SMILES for N-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine is CCCOc1ccccc1Nc1c2c(nc3ccccc13)CSC2.
What is the InChIKey of N-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
The InChIKey is XUBPGVNVUJTURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-2-11-23-19-10-6-5-9-17(19)22-20-14-7-3-4-8-16(14)21-18-13-24-12-15(18)20/h3-10H,2,11-13H2,1H3,(H,21,22).
What are the key properties of N-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine?
N-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine has a molecular weight of 336.46 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine is sourced from PubChem (CID 110435291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).