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

C17H18N2O2S — CID 5046601

IUPACN-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2cc3ccc(OC)cc3nc2s1
InChIInChI=1S/C17H18N2O2S/c1-4-10(2)18-16(20)15-8-12-7-11-5-6-13(21-3)9-14(11)19-17(12)22-15/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyCBHOIJBSRPOOSX-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.99
Rot. Bonds4

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

N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 5046601) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID5046601
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2cc3ccc(OC)cc3nc2s1
InChIInChI=1S/C17H18N2O2S/c1-4-10(2)18-16(20)15-8-12-7-11-5-6-13(21-3)9-14(11)19-17(12)22-15/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyCBHOIJBSRPOOSX-UHFFFAOYSA-N
XLogP3.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 5046601) is N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide is CCC(C)NC(=O)c1cc2cc3ccc(OC)cc3nc2s1.
What is the InChIKey of N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is CBHOIJBSRPOOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-4-10(2)18-16(20)15-8-12-7-11-5-6-13(21-3)9-14(11)19-17(12)22-15/h5-10H,4H2,1-3H3,(H,18,20).
What are the key properties of N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide?
N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 5046601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).