3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione

C18H19N3O4 — CID 66502564

IUPAC3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione
SMILESCOc1cc2[nH]c(=O)n(CCNc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C18H19N3O4/c1-24-15-10-13-14(11-16(15)25-2)20-18(23)21(17(13)22)9-8-19-12-6-4-3-5-7-12/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,23)
InChIKeyVBPYJZZTCNZEKY-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.82
Rot. Bonds6

About 3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione

3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione (PubChem CID 66502564) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione
PubChem CID66502564
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione
SMILESCOc1cc2[nH]c(=O)n(CCNc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C18H19N3O4/c1-24-15-10-13-14(11-16(15)25-2)20-18(23)21(17(13)22)9-8-19-12-6-4-3-5-7-12/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,23)
InChIKeyVBPYJZZTCNZEKY-UHFFFAOYSA-N
XLogP1.82
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
CID 94075074
6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide
CID 15988281
N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 22423308
3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 46506321
N-[(3-chlorophenyl)methyl]-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 46506231
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide
CID 50793231
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide
CID 50793209
3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 15993854
N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4909918
3-[2-[6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione
CID 19001898
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
CID 50793239
6,7-dimethoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione
CID 46506229

Frequently Asked Questions

What is the IUPAC name of 3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione (CID 66502564) is 3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione is COc1cc2[nH]c(=O)n(CCNc3ccccc3)c(=O)c2cc1OC.
What is the InChIKey of 3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione?
The InChIKey is VBPYJZZTCNZEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-15-10-13-14(11-16(15)25-2)20-18(23)21(17(13)22)9-8-19-12-6-4-3-5-7-12/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,23).
What are the key properties of 3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione?
3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione has a molecular weight of 341.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 66502564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).