3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione

C22H27N3O4 — CID 53370466

IUPAC3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CCCN(C)C)c2cc1OC
InChIInChI=1S/C22H27N3O4/c1-23(2)11-8-12-24-18-14-20(29-4)19(28-3)13-17(18)21(26)25(22(24)27)15-16-9-6-5-7-10-16/h5-7,9-10,13-14H,8,11-12,15H2,1-4H3
InChIKeyIRODVQHHHLUUAA-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.18
Rot. Bonds8

About 3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione

3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione (PubChem CID 53370466) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione.

Molecular Properties

Compound Name3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione
PubChem CID53370466
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CCCN(C)C)c2cc1OC
InChIInChI=1S/C22H27N3O4/c1-23(2)11-8-12-24-18-14-20(29-4)19(28-3)13-17(18)21(26)25(22(24)27)15-16-9-6-5-7-10-16/h5-7,9-10,13-14H,8,11-12,15H2,1-4H3
InChIKeyIRODVQHHHLUUAA-UHFFFAOYSA-N
XLogP2.18
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione 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-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
CID 95914099
4-[(1-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide
CID 50793484
6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione
CID 15992644
4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide
CID 50793351
1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-phenylquinazoline-2,4-dione
CID 17172499
9-chloro-5-[3-(dimethylamino)propyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
CID 54673291
N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
CID 15998450
1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione
CID 22423597
3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione
CID 118499634
N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793382
3-[3-(dimethylamino)propyl]-6,7-dimethoxy-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 21216834
N-butyl-4-[[1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793305

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione?
The IUPAC name of 3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione (CID 53370466) is 3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione.
What is the SMILES notation for 3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione?
The canonical SMILES for 3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione is COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CCCN(C)C)c2cc1OC.
What is the InChIKey of 3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione?
The InChIKey is IRODVQHHHLUUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-23(2)11-8-12-24-18-14-20(29-4)19(28-3)13-17(18)21(26)25(22(24)27)15-16-9-6-5-7-10-16/h5-7,9-10,13-14H,8,11-12,15H2,1-4H3.
What are the key properties of 3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione?
3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione has a molecular weight of 397.48 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione is sourced from PubChem (CID 53370466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).