N-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide

C20H22N2O2S — CID 15996637

IUPACN-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H22N2O2S/c1-14(2)24-11-6-10-21-20(23)16-13-18(19-9-5-12-25-19)22-17-8-4-3-7-15(16)17/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,23)
InChIKeyYSRGJJXEOCBFRH-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.51
Rot. Bonds7

About N-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 15996637) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID15996637
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H22N2O2S/c1-14(2)24-11-6-10-21-20(23)16-13-18(19-9-5-12-25-19)22-17-8-4-3-7-15(16)17/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,23)
InChIKeyYSRGJJXEOCBFRH-UHFFFAOYSA-N
XLogP4.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 15996637) is N-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide is CC(C)OCCCNC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is YSRGJJXEOCBFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14(2)24-11-6-10-21-20(23)16-13-18(19-9-5-12-25-19)22-17-8-4-3-7-15(16)17/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 15996637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).