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

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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).