N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide

C21H29N3O2 — CID 55893228

IUPACN-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1cc(C(C)C)nc2ccccc12
InChIInChI=1S/C21H29N3O2/c1-5-11-22-20(25)14-24(12-6-2)21(26)17-13-19(15(3)4)23-18-10-8-7-9-16(17)18/h7-10,13,15H,5-6,11-12,14H2,1-4H3,(H,22,25)
InChIKeyTXXNKDHTJQIXCQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.74
Rot. Bonds8

About N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide

N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide (PubChem CID 55893228) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide
PubChem CID55893228
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide
SMILESCCCNC(=O)CN(CCC)C(=O)c1cc(C(C)C)nc2ccccc12
InChIInChI=1S/C21H29N3O2/c1-5-11-22-20(25)14-24(12-6-2)21(26)17-13-19(15(3)4)23-18-10-8-7-9-16(17)18/h7-10,13,15H,5-6,11-12,14H2,1-4H3,(H,22,25)
InChIKeyTXXNKDHTJQIXCQ-UHFFFAOYSA-N
XLogP3.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide (CID 55893228) is N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide is CCCNC(=O)CN(CCC)C(=O)c1cc(C(C)C)nc2ccccc12.
What is the InChIKey of N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide?
The InChIKey is TXXNKDHTJQIXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-5-11-22-20(25)14-24(12-6-2)21(26)17-13-19(15(3)4)23-18-10-8-7-9-16(17)18/h7-10,13,15H,5-6,11-12,14H2,1-4H3,(H,22,25).
What are the key properties of N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide?
N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-yl-N-propylquinoline-4-carboxamide is sourced from PubChem (CID 55893228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).