N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide

C25H30N6O2 — CID 117093953

IUPACN-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(N2CCN(c3ccccn3)CC2)nc2ccccc12
InChIInChI=1S/C25H30N6O2/c32-25(27-9-10-29-15-17-33-18-16-29)21-19-24(28-22-6-2-1-5-20(21)22)31-13-11-30(12-14-31)23-7-3-4-8-26-23/h1-8,19H,9-18H2,(H,27,32)
InChIKeyCGYRWIPGUWHJBX-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.02
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide

N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide (PubChem CID 117093953) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide
PubChem CID117093953
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(N2CCN(c3ccccn3)CC2)nc2ccccc12
InChIInChI=1S/C25H30N6O2/c32-25(27-9-10-29-15-17-33-18-16-29)21-19-24(28-22-6-2-1-5-20(21)22)31-13-11-30(12-14-31)23-7-3-4-8-26-23/h1-8,19H,9-18H2,(H,27,32)
InChIKeyCGYRWIPGUWHJBX-UHFFFAOYSA-N
XLogP2.02
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide (CID 117093953) is N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide is O=C(NCCN1CCOCC1)c1cc(N2CCN(c3ccccn3)CC2)nc2ccccc12.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide?
The InChIKey is CGYRWIPGUWHJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c32-25(27-9-10-29-15-17-33-18-16-29)21-19-24(28-22-6-2-1-5-20(21)22)31-13-11-30(12-14-31)23-7-3-4-8-26-23/h1-8,19H,9-18H2,(H,27,32).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide?
N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 117093953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).