N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide

C23H32N4O4 — CID 135808666

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NCCC1=CCCCC1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C23H32N4O4/c1-4-27(15-22(28)24-11-10-16-8-6-5-7-9-16)14-21-25-18-13-20(31-3)19(30-2)12-17(18)23(29)26-21/h8,12-13H,4-7,9-11,14-15H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeyXTLDHKZTUPAEGJ-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.77
Rot. Bonds10

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide (PubChem CID 135808666) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide
PubChem CID135808666
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NCCC1=CCCCC1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
InChIInChI=1S/C23H32N4O4/c1-4-27(15-22(28)24-11-10-16-8-6-5-7-9-16)14-21-25-18-13-20(31-3)19(30-2)12-17(18)23(29)26-21/h8,12-13H,4-7,9-11,14-15H2,1-3H3,(H,24,28)(H,25,26,29)
InChIKeyXTLDHKZTUPAEGJ-UHFFFAOYSA-N
XLogP2.77
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide 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-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-propylacetamide
CID 135809025
N-(2,5-diethoxyphenyl)-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide
CID 135979024
N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18087843
2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3-sulfamoylphenyl)acetamide
CID 135530907
2-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135415520
methyl 3-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]benzoate
CID 135808592
2-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 137154641
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27666325
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 137132799
2-[[3-(2,5-dimethylphenoxy)propyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135735115
(2S)-2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-methylbutanamide
CID 137132828

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide (CID 135808666) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide is CCN(CC(=O)NCCC1=CCCCC1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide?
The InChIKey is XTLDHKZTUPAEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-4-27(15-22(28)24-11-10-16-8-6-5-7-9-16)14-21-25-18-13-20(31-3)19(30-2)12-17(18)23(29)26-21/h8,12-13H,4-7,9-11,14-15H2,1-3H3,(H,24,28)(H,25,26,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide has a molecular weight of 428.53 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide is sourced from PubChem (CID 135808666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).