N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide

C32H39N7O4 — CID 163691887

IUPACN-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide
SMILESCCN(CC)CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3ccc(NC(=O)N4CCOCC4)nc3)nc2c1
InChIInChI=1S/C32H39N7O4/c1-5-37(6-2)11-12-39(25-17-26(41-3)20-27(18-25)42-4)24-8-9-28-29(19-24)35-30(22-33-28)23-7-10-31(34-21-23)36-32(40)38-13-15-43-16-14-38/h7-10,17-22H,5-6,11-16H2,1-4H3,(H,34,36,40)
InChIKeyDLDPRVJZEURFDL-UHFFFAOYSA-N
MW585.71 g/mol
LogP5.05
Rot. Bonds11

About N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide

N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide (PubChem CID 163691887) has the molecular formula C32H39N7O4 and a molecular weight of 585.71 g/mol. Its IUPAC name is N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide
PubChem CID163691887
Molecular FormulaC32H39N7O4
Molecular Weight585.71 g/mol
Exact Mass585.31
IUPAC NameN-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide
SMILESCCN(CC)CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3ccc(NC(=O)N4CCOCC4)nc3)nc2c1
InChIInChI=1S/C32H39N7O4/c1-5-37(6-2)11-12-39(25-17-26(41-3)20-27(18-25)42-4)24-8-9-28-29(19-24)35-30(22-33-28)23-7-10-31(34-21-23)36-32(40)38-13-15-43-16-14-38/h7-10,17-22H,5-6,11-16H2,1-4H3,(H,34,36,40)
InChIKeyDLDPRVJZEURFDL-UHFFFAOYSA-N
XLogP5.05
TPSA105.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide (CID 163691887) is N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide is CCN(CC)CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3ccc(NC(=O)N4CCOCC4)nc3)nc2c1.
What is the InChIKey of N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide?
The InChIKey is DLDPRVJZEURFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N7O4/c1-5-37(6-2)11-12-39(25-17-26(41-3)20-27(18-25)42-4)24-8-9-28-29(19-24)35-30(22-33-28)23-7-10-31(34-21-23)36-32(40)38-13-15-43-16-14-38/h7-10,17-22H,5-6,11-16H2,1-4H3,(H,34,36,40).
What are the key properties of N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide?
N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide has a molecular weight of 585.71 g/mol, XLogP of 5.05, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-[N-[2-(diethylamino)ethyl]-3,5-dimethoxyanilino]quinoxalin-2-yl]-2-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 163691887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).