2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide

C27H31N5O3 — CID 117089914

IUPAC2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc(Nc2ccc(N3CCOCC3)cc2)nc2ccccc12
InChIInChI=1S/C27H31N5O3/c33-26-7-3-13-32(26)14-4-12-28-27(34)23-19-25(30-24-6-2-1-5-22(23)24)29-20-8-10-21(11-9-20)31-15-17-35-18-16-31/h1-2,5-6,8-11,19H,3-4,7,12-18H2,(H,28,34)(H,29,30)
InChIKeyMULYILLBEJLNDP-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.56
Rot. Bonds8

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

2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide (PubChem CID 117089914) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
PubChem CID117089914
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc(Nc2ccc(N3CCOCC3)cc2)nc2ccccc12
InChIInChI=1S/C27H31N5O3/c33-26-7-3-13-32(26)14-4-12-28-27(34)23-19-25(30-24-6-2-1-5-22(23)24)29-20-8-10-21(11-9-20)31-15-17-35-18-16-31/h1-2,5-6,8-11,19H,3-4,7,12-18H2,(H,28,34)(H,29,30)
InChIKeyMULYILLBEJLNDP-UHFFFAOYSA-N
XLogP3.56
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
CID 117090394
2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 24793582
N-cyclopropyl-2-(4-morpholin-4-ylanilino)quinoline-4-carboxamide
CID 117090375
2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 117080609
2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
CID 117089388
6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 117088866
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 117089575
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
2-(furan-2-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]quinoline-4-carboxamide
CID 39515438
N-(4-morpholin-4-ylphenyl)-2-[1-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridazin-3-yl]indol-3-yl]acetamide
CID 117087098

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide (CID 117089914) is 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide is O=C(NCCCN1CCCC1=O)c1cc(Nc2ccc(N3CCOCC3)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide?
The InChIKey is MULYILLBEJLNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c33-26-7-3-13-32(26)14-4-12-28-27(34)23-19-25(30-24-6-2-1-5-22(23)24)29-20-8-10-21(11-9-20)31-15-17-35-18-16-31/h1-2,5-6,8-11,19H,3-4,7,12-18H2,(H,28,34)(H,29,30).
What are the key properties of 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide?
2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 117089914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).