N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide

C16H14N2O2S — CID 4180538

IUPACN-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)NC4CC4)sc3nc2c1
InChIInChI=1S/C16H14N2O2S/c1-20-12-5-2-9-6-10-7-14(15(19)17-11-3-4-11)21-16(10)18-13(9)8-12/h2,5-8,11H,3-4H2,1H3,(H,17,19)
InChIKeyNDMBQFWORYJDCB-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.35
Rot. Bonds3

About N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide

N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 4180538) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID4180538
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)NC4CC4)sc3nc2c1
InChIInChI=1S/C16H14N2O2S/c1-20-12-5-2-9-6-10-7-14(15(19)17-11-3-4-11)21-16(10)18-13(9)8-12/h2,5-8,11H,3-4H2,1H3,(H,17,19)
InChIKeyNDMBQFWORYJDCB-UHFFFAOYSA-N
XLogP3.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 4180538) is N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide is COc1ccc2cc3cc(C(=O)NC4CC4)sc3nc2c1.
What is the InChIKey of N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is NDMBQFWORYJDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-20-12-5-2-9-6-10-7-14(15(19)17-11-3-4-11)21-16(10)18-13(9)8-12/h2,5-8,11H,3-4H2,1H3,(H,17,19).
What are the key properties of N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 4180538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).