2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine

C19H18N2O2S — CID 2345204

IUPAC(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone
SMILESCOC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N
InChIInChI=1S/C19H18N2O2S/c1-23-13-8-6-11(7-9-13)17(22)18-16(20)14-10-12-4-2-3-5-15(12)21-19(14)24-18/h6-10H,2-5,20H2,1H3
InChIKeyCDZCVVLUUYQTJL-UHFFFAOYSA-N
MW338.40 g/mol
LogP5.00
Rot. Bonds3

About 2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine

2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine (PubChem CID 2345204) has the molecular formula C19H18N2O2S and a molecular weight of 338.40 g/mol. Its IUPAC name is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine
PubChem CID2345204
Molecular FormulaC19H18N2O2S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone
SMILESCOC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N
InChIInChI=1S/C19H18N2O2S/c1-23-13-8-6-11(7-9-13)17(22)18-16(20)14-10-12-4-2-3-5-15(12)21-19(14)24-18/h6-10H,2-5,20H2,1H3
InChIKeyCDZCVVLUUYQTJL-UHFFFAOYSA-N
XLogP5.00
TPSA93.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity466

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine with MolForge

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Related Compounds

VU0152100
CID 864492
3-amino-N-cyclopropyl-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3324427
3-amino-N-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 689989
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
CID 698706
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1647025
3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1283826
3-Amino-4-(2-furanyl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]thieno[3,2-e]pyridine-2-carboxamide
CID 46830215
Methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 2838748
(3-Amino-6-methyl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-(3,4-dimethoxyphenyl)methanone
CID 1005278
3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1018148
(3-Amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)(1,3-benzodioxol-5-yl)methanone
CID 1086237
2-(3-Methoxybenzoyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-B]pyridin-3-amine
CID 4137685

Frequently Asked Questions

What is the IUPAC name of 2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine?
The IUPAC name of 2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine (CID 2345204) is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for 2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine?
The canonical SMILES for 2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine is COC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N.
What is the InChIKey of 2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine?
The InChIKey is CDZCVVLUUYQTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-23-13-8-6-11(7-9-13)17(22)18-16(20)14-10-12-4-2-3-5-15(12)21-19(14)24-18/h6-10H,2-5,20H2,1H3.
What are the key properties of 2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine?
2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine has a molecular weight of 338.40 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine is sourced from PubChem (CID 2345204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).