[3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone

C26H26N2O2S — CID 5136586

IUPAC[3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone
SMILESCc1ccc(-c2c3c(nc4sc(C(=O)c5cc(C)c(C)cc5C)c(N)c24)CCCC3)o1
InChIInChI=1S/C26H26N2O2S/c1-13-11-15(3)18(12-14(13)2)24(29)25-23(27)22-21(20-10-9-16(4)30-20)17-7-5-6-8-19(17)28-26(22)31-25/h9-12H,5-8,27H2,1-4H3
InChIKeyMBWHQQUXZZPLFD-UHFFFAOYSA-N
MW430.57 g/mol
LogP6.48
Rot. Bonds3

About [3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone

[3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone (PubChem CID 5136586) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is [3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name[3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone
PubChem CID5136586
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC Name[3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone
SMILESCc1ccc(-c2c3c(nc4sc(C(=O)c5cc(C)c(C)cc5C)c(N)c24)CCCC3)o1
InChIInChI=1S/C26H26N2O2S/c1-13-11-15(3)18(12-14(13)2)24(29)25-23(27)22-21(20-10-9-16(4)30-20)17-7-5-6-8-19(17)28-26(22)31-25/h9-12H,5-8,27H2,1-4H3
InChIKeyMBWHQQUXZZPLFD-UHFFFAOYSA-N
XLogP6.48
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone with MolForge

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Related Compounds

methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 827712
ethyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 1069989
benzyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 5167661
(3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone
CID 42648256
3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1042903
butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 4521595
ethyl 3-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 1390732
6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylic acid
CID 178081756
3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1315700
3-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 10338484
6-amino-8-[4-(dimethylamino)phenyl]-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
CID 178081700
(3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 5037870

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of [3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone (CID 5136586) is [3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for [3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for [3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone is Cc1ccc(-c2c3c(nc4sc(C(=O)c5cc(C)c(C)cc5C)c(N)c24)CCCC3)o1.
What is the InChIKey of [3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone?
The InChIKey is MBWHQQUXZZPLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-13-11-15(3)18(12-14(13)2)24(29)25-23(27)22-21(20-10-9-16(4)30-20)17-7-5-6-8-19(17)28-26(22)31-25/h9-12H,5-8,27H2,1-4H3.
What are the key properties of [3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone?
[3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone has a molecular weight of 430.57 g/mol, XLogP of 6.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 5136586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).