N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide

C23H31N5O3 — CID 117090394

IUPACN-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(NCCCN2CCCC2=O)nc2ccccc12
InChIInChI=1S/C23H31N5O3/c29-22-7-3-10-28(22)11-4-8-24-21-17-19(18-5-1-2-6-20(18)26-21)23(30)25-9-12-27-13-15-31-16-14-27/h1-2,5-6,17H,3-4,7-16H2,(H,24,26)(H,25,30)
InChIKeyJNJRJDLUPAYQKH-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.72
Rot. Bonds9

About N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide

N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide (PubChem CID 117090394) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
PubChem CID117090394
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC NameN-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(NCCCN2CCCC2=O)nc2ccccc12
InChIInChI=1S/C23H31N5O3/c29-22-7-3-10-28(22)11-4-8-24-21-17-19(18-5-1-2-6-20(18)26-21)23(30)25-9-12-27-13-15-31-16-14-27/h1-2,5-6,17H,3-4,7-16H2,(H,24,26)(H,25,30)
InChIKeyJNJRJDLUPAYQKH-UHFFFAOYSA-N
XLogP1.72
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 117089914
2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
CID 117089388
6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
CID 162651076
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 24793582
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide
CID 39515438
2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
N-(2-morpholin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512877

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide (CID 117090394) is N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide is O=C(NCCN1CCOCC1)c1cc(NCCCN2CCCC2=O)nc2ccccc12.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide?
The InChIKey is JNJRJDLUPAYQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c29-22-7-3-10-28(22)11-4-8-24-21-17-19(18-5-1-2-6-20(18)26-21)23(30)25-9-12-27-13-15-31-16-14-27/h1-2,5-6,17H,3-4,7-16H2,(H,24,26)(H,25,30).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide?
N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide is sourced from PubChem (CID 117090394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).