N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide

C25H29N3O4 — CID 3971149

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C25H29N3O4/c1-4-31-23-16-22(28-10-12-30-13-11-28)24(32-5-2)15-21(23)27-25(29)19-14-17(3)26-20-9-7-6-8-18(19)20/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,27,29)
InChIKeyLSBKGONIKHZPFA-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.43
Rot. Bonds7

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide (PubChem CID 3971149) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide
PubChem CID3971149
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C25H29N3O4/c1-4-31-23-16-22(28-10-12-30-13-11-28)24(32-5-2)15-21(23)27-25(29)19-14-17(3)26-20-9-7-6-8-18(19)20/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,27,29)
InChIKeyLSBKGONIKHZPFA-UHFFFAOYSA-N
XLogP4.43
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide (CID 3971149) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is LSBKGONIKHZPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-4-31-23-16-22(28-10-12-30-13-11-28)24(32-5-2)15-21(23)27-25(29)19-14-17(3)26-20-9-7-6-8-18(19)20/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,27,29).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 3971149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).