4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide

C25H37N5O4 — CID 88645451

IUPAC4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide
SMILESCN(C(=O)CCCOc1ccc2c(c1)CN(C(C=O)N1CCOCC1)C(N)=N2)C1CCCCC1
InChIInChI=1S/C25H37N5O4/c1-28(20-6-3-2-4-7-20)24(32)8-5-13-34-21-9-10-22-19(16-21)17-30(25(26)27-22)23(18-31)29-11-14-33-15-12-29/h9-10,16,18,20,23H,2-8,11-15,17H2,1H3,(H2,26,27)
InChIKeyHNUOFXPYUUKXOH-UHFFFAOYSA-N
MW471.60 g/mol
LogP2.26
Rot. Bonds9

About 4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide

4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide (PubChem CID 88645451) has the molecular formula C25H37N5O4 and a molecular weight of 471.60 g/mol. Its IUPAC name is 4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide.

Molecular Properties

Compound Name4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide
PubChem CID88645451
Molecular FormulaC25H37N5O4
Molecular Weight471.60 g/mol
Exact Mass471.28
IUPAC Name4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide
SMILESCN(C(=O)CCCOc1ccc2c(c1)CN(C(C=O)N1CCOCC1)C(N)=N2)C1CCCCC1
InChIInChI=1S/C25H37N5O4/c1-28(20-6-3-2-4-7-20)24(32)8-5-13-34-21-9-10-22-19(16-21)17-30(25(26)27-22)23(18-31)29-11-14-33-15-12-29/h9-10,16,18,20,23H,2-8,11-15,17H2,1H3,(H2,26,27)
InChIKeyHNUOFXPYUUKXOH-UHFFFAOYSA-N
XLogP2.26
TPSA100.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]-3-methyl-3-phenylbutanoic acid
CID 70412679
4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-cyclohexyl-N-methyl-4-(oxan-4-yl)butanamide
CID 68627100
N-cyclopentyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
CID 135626472
4-[[2-amino-3-[2-[cyclohexyl(cyclopentyl)amino]-2-oxoethyl]-4H-quinazolin-6-yl]oxy]-N-butyl-N-cyclohexylbutanamide
CID 54139960
tert-butyl 2-[6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-2-(ethoxycarbonylamino)-4H-quinazolin-3-yl]acetate
CID 70061853
3,3-dimethylbutan-2-yl 2-[2-acetamido-6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetate
CID 54442856
4-[[(4S)-4-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-4-cyclohexylbutanoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 58625078
ethyl 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-1,4-dihydroquinazolin-3-ium-3-yl]acetate
CID 135887904
(1,1,1-trichloro-2-methylpropan-2-yl) 2-[6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-2-[[4-(dimethylamino)benzoyl]amino]-4H-quinazolin-3-yl]acetate
CID 70051032
3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
CID 61090557
4-[[2-amino-3-(2-anilino-2-oxoethyl)-1,4-dihydroquinazolin-3-ium-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide bromide
CID 135887917
(3R)-3-(2-amino-6-phenoxy-4H-quinazolin-3-yl)-N-(4-cyanocyclohexyl)-N-methylbutanamide
CID 143181775

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide?
The IUPAC name of 4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide (CID 88645451) is 4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide.
What is the SMILES notation for 4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide?
The canonical SMILES for 4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide is CN(C(=O)CCCOc1ccc2c(c1)CN(C(C=O)N1CCOCC1)C(N)=N2)C1CCCCC1.
What is the InChIKey of 4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide?
The InChIKey is HNUOFXPYUUKXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O4/c1-28(20-6-3-2-4-7-20)24(32)8-5-13-34-21-9-10-22-19(16-21)17-30(25(26)27-22)23(18-31)29-11-14-33-15-12-29/h9-10,16,18,20,23H,2-8,11-15,17H2,1H3,(H2,26,27).
What are the key properties of 4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide?
4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide has a molecular weight of 471.60 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-3-(1-morpholin-4-yl-2-oxoethyl)-4H-quinazolin-6-yl]oxy]-N-cyclohexyl-N-methylbutanamide is sourced from PubChem (CID 88645451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).