7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione

C13H17N3O2 — CID 117262976

IUPAC7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione
SMILESCNC(C)Cn1c(=O)[nH]c2cc(C)ccc2c1=O
InChIInChI=1S/C13H17N3O2/c1-8-4-5-10-11(6-8)15-13(18)16(12(10)17)7-9(2)14-3/h4-6,9,14H,7H2,1-3H3,(H,15,18)
InChIKeyVBBSSZCDHKOBOS-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.61
Rot. Bonds3

About 7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione

7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione (PubChem CID 117262976) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione
PubChem CID117262976
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione
SMILESCNC(C)Cn1c(=O)[nH]c2cc(C)ccc2c1=O
InChIInChI=1S/C13H17N3O2/c1-8-4-5-10-11(6-8)15-13(18)16(12(10)17)7-9(2)14-3/h4-6,9,14H,7H2,1-3H3,(H,15,18)
InChIKeyVBBSSZCDHKOBOS-UHFFFAOYSA-N
XLogP0.61
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-3-[2-(methylamino)ethyl]-1H-quinazoline-2,4-dione
CID 117262974
3-benzyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261590
7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262886
2-(6-methyl-2,4-dioxo-1H-quinazolin-3-yl)acetaldehyde
CID 117262442
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
7-chloro-3-[3-(methylamino)propyl]-1H-quinazoline-2,4-dione
CID 117263030
3-amino-7-methyl-4-sulfanylidene-1H-quinazolin-2-one
CID 170981203
3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride
CID 120650490
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
7-methyl-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261515
6-methyl-3-propan-2-yl-1H-benzimidazol-2-one
CID 67560212
2-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]-3-methylbutanoic acid
CID 119170339

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione (CID 117262976) is 7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione is CNC(C)Cn1c(=O)[nH]c2cc(C)ccc2c1=O.
What is the InChIKey of 7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione?
The InChIKey is VBBSSZCDHKOBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-4-5-10-11(6-8)15-13(18)16(12(10)17)7-9(2)14-3/h4-6,9,14H,7H2,1-3H3,(H,15,18).
What are the key properties of 7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione?
7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione has a molecular weight of 247.30 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[2-(methylamino)propyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117262976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).