3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide

C17H19N3OS — CID 856673

IUPAC3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1sc2nc3ccc(C)cc3cc2c1N
InChIInChI=1S/C17H19N3OS/c1-4-10(3)19-16(21)15-14(18)12-8-11-7-9(2)5-6-13(11)20-17(12)22-15/h5-8,10H,4,18H2,1-3H3,(H,19,21)/t10-/m0/s1
InChIKeyHEAGNMPPPAYCQN-JTQLQIEISA-N
MW313.43 g/mol
LogP3.87
Rot. Bonds3

About 3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide

3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 856673) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID856673
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1sc2nc3ccc(C)cc3cc2c1N
InChIInChI=1S/C17H19N3OS/c1-4-10(3)19-16(21)15-14(18)12-8-11-7-9(2)5-6-13(11)20-17(12)22-15/h5-8,10H,4,18H2,1-3H3,(H,19,21)/t10-/m0/s1
InChIKeyHEAGNMPPPAYCQN-JTQLQIEISA-N
XLogP3.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-methyl-N-(4-methylhexan-2-yl)-1-benzothiophene-2-carboxamide
CID 107932423
methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate
CID 855651
methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate
CID 155515018
3-amino-N-(4-hydroxybutan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 83180766
3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932496
3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207407
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932413
3-amino-6-ethoxy-N-phenylthieno[2,3-b]quinoline-2-carboxamide
CID 1156787
3-amino-6-ethoxy-N-(4-methyl-1,2,5-oxadiazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 3207423
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate
CID 155568119

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide (CID 856673) is 3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide is CC[C@H](C)NC(=O)c1sc2nc3ccc(C)cc3cc2c1N.
What is the InChIKey of 3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is HEAGNMPPPAYCQN-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19N3OS/c1-4-10(3)19-16(21)15-14(18)12-8-11-7-9(2)5-6-13(11)20-17(12)22-15/h5-8,10H,4,18H2,1-3H3,(H,19,21)/t10-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-butan-2-yl]-6-methylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 856673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).