(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone

C18H19N3OS — CID 43812047

IUPAC(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone
SMILESCc1cc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2cc1C
InChIInChI=1S/C18H19N3OS/c1-10-7-12-9-13-15(19)16(18(22)21-5-3-4-6-21)23-17(13)20-14(12)8-11(10)2/h7-9H,3-6,19H2,1-2H3
InChIKeyBSFKFHGQKQBZIZ-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.88
Rot. Bonds1

About (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone

(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 43812047) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID43812047
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone
SMILESCc1cc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2cc1C
InChIInChI=1S/C18H19N3OS/c1-10-7-12-9-13-15(19)16(18(22)21-5-3-4-6-21)23-17(13)20-14(12)8-11(10)2/h7-9H,3-6,19H2,1-2H3
InChIKeyBSFKFHGQKQBZIZ-UHFFFAOYSA-N
XLogP3.88
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-piperidin-1-ylmethanone
CID 865126
(3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone
CID 1442782
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-pyrrolidin-1-ylmethanone
CID 23999189
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-piperidin-1-ylmethanone
CID 797224
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 7383462
(3-amino-6-propan-2-ylthieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone
CID 43812028
3-amino-7,7-dimethyl-2-(pyrrolidine-1-carbonyl)-6,8-dihydrothieno[2,3-b]quinolin-5-one
CID 4651199
(3-amino-7-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 107112793
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 23943390
ethyl 4-(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carbonyl)piperazine-1-carboxylate
CID 23859609
3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 43812053
(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 23971353

Frequently Asked Questions

What is the IUPAC name of (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone (CID 43812047) is (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone is Cc1cc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2cc1C.
What is the InChIKey of (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is BSFKFHGQKQBZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-10-7-12-9-13-15(19)16(18(22)21-5-3-4-6-21)23-17(13)20-14(12)8-11(10)2/h7-9H,3-6,19H2,1-2H3.
What are the key properties of (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone?
(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 325.44 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 43812047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).