N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide

C25H36N4O3 — CID 43050217

IUPACN-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)N1CCOCC1
InChIInChI=1S/C25H36N4O3/c1-18(2)15-20(28-11-13-32-14-12-28)17-26-24(30)19-8-9-21-22(16-19)27-23-7-5-3-4-6-10-29(23)25(21)31/h8-9,16,18,20H,3-7,10-15,17H2,1-2H3,(H,26,30)
InChIKeyXEMLFSDDPXKWAT-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.99
Rot. Bonds6

About N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide

N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide (PubChem CID 43050217) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
PubChem CID43050217
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC NameN-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)N1CCOCC1
InChIInChI=1S/C25H36N4O3/c1-18(2)15-20(28-11-13-32-14-12-28)17-26-24(30)19-8-9-21-22(16-19)27-23-7-5-3-4-6-10-29(23)25(21)31/h8-9,16,18,20H,3-7,10-15,17H2,1-2H3,(H,26,30)
InChIKeyXEMLFSDDPXKWAT-UHFFFAOYSA-N
XLogP2.99
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide with MolForge

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Related Compounds

4-methyl-2-[[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]methyl]pentanoic acid
CID 120528458
N-ethyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551018
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 41000737
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 55450404
3-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 40508071
N-[(4-methylphenyl)methyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 9455432
3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carbonyl)amino]propanoic acid
CID 119351395
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 32629503
13-oxo-N-(2-propan-2-ylpyrazol-3-yl)-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 30184520
N-benzyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551039
[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl] 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate
CID 42933589
N-(3-cyclohexyloxypropyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 24516405

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide?
The IUPAC name of N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide (CID 43050217) is N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide?
The canonical SMILES for N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide is CC(C)CC(CNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)N1CCOCC1.
What is the InChIKey of N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide?
The InChIKey is XEMLFSDDPXKWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-18(2)15-20(28-11-13-32-14-12-28)17-26-24(30)19-8-9-21-22(16-19)27-23-7-5-3-4-6-10-29(23)25(21)31/h8-9,16,18,20H,3-7,10-15,17H2,1-2H3,(H,26,30).
What are the key properties of N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide?
N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-morpholin-4-ylpentyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 43050217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).