2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide

C23H28N6O5 — CID 154973696

IUPAC2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide
SMILESCOc1c(OCCCN2CCOCC2)ccc2c(=O)n(C)c(NC(=O)c3cnc(N)nc3)cc12
InChIInChI=1S/C23H28N6O5/c1-28-19(27-21(30)15-13-25-23(24)26-14-15)12-17-16(22(28)31)4-5-18(20(17)32-2)34-9-3-6-29-7-10-33-11-8-29/h4-5,12-14H,3,6-11H2,1-2H3,(H,27,30)(H2,24,25,26)
InChIKeyNZECOHDAVSTERJ-UHFFFAOYSA-N
MW468.51 g/mol
LogP1.27
Rot. Bonds8

About 2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide

2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide (PubChem CID 154973696) has the molecular formula C23H28N6O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide
PubChem CID154973696
Molecular FormulaC23H28N6O5
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Name2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide
SMILESCOc1c(OCCCN2CCOCC2)ccc2c(=O)n(C)c(NC(=O)c3cnc(N)nc3)cc12
InChIInChI=1S/C23H28N6O5/c1-28-19(27-21(30)15-13-25-23(24)26-14-15)12-17-16(22(28)31)4-5-18(20(17)32-2)34-9-3-6-29-7-10-33-11-8-29/h4-5,12-14H,3,6-11H2,1-2H3,(H,27,30)(H2,24,25,26)
InChIKeyNZECOHDAVSTERJ-UHFFFAOYSA-N
XLogP1.27
TPSA133.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[6-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-5-methoxy-2-methyl-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide
CID 154973837
2-amino-N-[8-methoxy-3-methyl-7-(3-morpholin-4-ylpropyl)-2,4-dioxoquinazolin-1-yl]pyrimidine-5-carboxamide
CID 154963220
2-amino-N-[8-methoxy-3-methyl-7-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 154963229
2-amino-N-[8-methoxy-3-methyl-7-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162701360
2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162701405
N-[4-amino-6-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-5-methoxy-2-methyl-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide
CID 162346629
5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide
CID 162701391
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
2-amino-N-[7-[2-(methanesulfonamido)ethoxy]-8-methoxy-3-methyl-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 154963242
2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide
CID 154973811
N-(2-aminophenyl)-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzamide
CID 71471023
N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]cyclohexanecarboxamide
CID 162701298

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide (CID 154973696) is 2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide is COc1c(OCCCN2CCOCC2)ccc2c(=O)n(C)c(NC(=O)c3cnc(N)nc3)cc12.
What is the InChIKey of 2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is NZECOHDAVSTERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O5/c1-28-19(27-21(30)15-13-25-23(24)26-14-15)12-17-16(22(28)31)4-5-18(20(17)32-2)34-9-3-6-29-7-10-33-11-8-29/h4-5,12-14H,3,6-11H2,1-2H3,(H,27,30)(H2,24,25,26).
What are the key properties of 2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide?
2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 468.51 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 154973696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).