8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one

C20H28N4O2 — CID 170753768

IUPAC8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one
SMILESCc1cc(C(C)N)c2nc(N3CCOCC3)n(CC3CCC3)c(=O)c2c1
InChIInChI=1S/C20H28N4O2/c1-13-10-16(14(2)21)18-17(11-13)19(25)24(12-15-4-3-5-15)20(22-18)23-6-8-26-9-7-23/h10-11,14-15H,3-9,12,21H2,1-2H3
InChIKeyAFRCUWSWXAJOCB-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.36
Rot. Bonds4

About 8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one

8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one (PubChem CID 170753768) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one.

Molecular Properties

Compound Name8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one
PubChem CID170753768
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one
SMILESCc1cc(C(C)N)c2nc(N3CCOCC3)n(CC3CCC3)c(=O)c2c1
InChIInChI=1S/C20H28N4O2/c1-13-10-16(14(2)21)18-17(11-13)19(25)24(12-15-4-3-5-15)20(22-18)23-6-8-26-9-7-23/h10-11,14-15H,3-9,12,21H2,1-2H3
InChIKeyAFRCUWSWXAJOCB-UHFFFAOYSA-N
XLogP2.36
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one 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

3,6-Dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one
CID 47044415
2-[2-(4-Ethylpiperazin-1-yl)ethylamino]-3,6-dimethylquinazolin-4-one
CID 71894643
N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]methyl]acetamide
CID 136580219
6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one
CID 164995242
8-[(1R)-1-aminoethyl]-2-(4,4-difluoropiperidin-1-yl)-3-methyl-6-(trifluoromethyl)quinazolin-4-one
CID 169154501
8-[(1R)-1-aminoethyl]-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one
CID 169154688
8-[(1R)-1-aminoethyl]-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one
CID 169154875
8-[(1R)-1-aminoethyl]-2-(4,4-difluoropiperidin-1-yl)-3,6-dimethylquinazolin-4-one
CID 169154949
8-[(1R)-1-aminoethyl]-2-(3,3-difluoroazetidin-1-yl)-3,6-dimethylquinazolin-4-one
CID 169154980
(R)-N-[1-[2-(4,4-difluoropiperidin-1-yl)-3-methyl-4-oxo-6-(trifluoromethyl)quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169155123
8-[(1R)-1-aminoethyl]-2-(3,3-difluoropyrrolidin-1-yl)-3,6-dimethylquinazolin-4-one
CID 169155268
8-(1-Aminoethyl)-2-(4,4-difluoropiperidin-1-yl)-3-methyl-6-(trifluoromethyl)quinazolin-4-one
CID 169763270

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one?
The IUPAC name of 8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one (CID 170753768) is 8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one.
What is the SMILES notation for 8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one?
The canonical SMILES for 8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one is Cc1cc(C(C)N)c2nc(N3CCOCC3)n(CC3CCC3)c(=O)c2c1.
What is the InChIKey of 8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one?
The InChIKey is AFRCUWSWXAJOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13-10-16(14(2)21)18-17(11-13)19(25)24(12-15-4-3-5-15)20(22-18)23-6-8-26-9-7-23/h10-11,14-15H,3-9,12,21H2,1-2H3.
What are the key properties of 8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one?
8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one has a molecular weight of 356.47 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-3-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylquinazolin-4-one is sourced from PubChem (CID 170753768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).