N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide

C22H30N4O4 — CID 124860372

IUPACN-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1cc2ncn(CC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)c(=O)c2cc1OC
InChIInChI=1S/C22H30N4O4/c1-29-19-10-16-17(11-20(19)30-2)24-14-26(22(16)28)13-21(27)23-12-15-6-5-9-25-8-4-3-7-18(15)25/h10-11,14-15,18H,3-9,12-13H2,1-2H3,(H,23,27)/t15-,18+/m1/s1
InChIKeyBMCMFXYLUJCSQB-QAPCUYQASA-N
MW414.51 g/mol
LogP1.79
Rot. Bonds6

About N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide

N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide (PubChem CID 124860372) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
PubChem CID124860372
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1cc2ncn(CC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)c(=O)c2cc1OC
InChIInChI=1S/C22H30N4O4/c1-29-19-10-16-17(11-20(19)30-2)24-14-26(22(16)28)13-21(27)23-12-15-6-5-9-25-8-4-3-7-18(15)25/h10-11,14-15,18H,3-9,12-13H2,1-2H3,(H,23,27)/t15-,18+/m1/s1
InChIKeyBMCMFXYLUJCSQB-QAPCUYQASA-N
XLogP1.79
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)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-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41041007
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 132936276
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 100906249
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 124652635
N-cyclohexyl-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46558346
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 71753916
N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 166238740
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanamide
CID 98226210
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 29133153
N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 166393120
(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide
CID 29147907
6,7-dimethoxy-3-[4-[3-(methylamino)piperidin-1-yl]-4-oxobutyl]quinazolin-4-one
CID 119491763

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide (CID 124860372) is N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide is COc1cc2ncn(CC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)c(=O)c2cc1OC.
What is the InChIKey of N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is BMCMFXYLUJCSQB-QAPCUYQASA-N. The full InChI is InChI=1S/C22H30N4O4/c1-29-19-10-16-17(11-20(19)30-2)24-14-26(22(16)28)13-21(27)23-12-15-6-5-9-25-8-4-3-7-18(15)25/h10-11,14-15,18H,3-9,12-13H2,1-2H3,(H,23,27)/t15-,18+/m1/s1.
What are the key properties of N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide?
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 124860372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).