8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione

C13H17N3O3 — CID 117263377

IUPAC8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione
SMILESCNCCCn1c(=O)c2cccc(O)c2n(C)c1=O
InChIInChI=1S/C13H17N3O3/c1-14-7-4-8-16-12(18)9-5-3-6-10(17)11(9)15(2)13(16)19/h3,5-6,14,17H,4,7-8H2,1-2H3
InChIKeyNKIONIDDYJVXLM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.02
Rot. Bonds4

About 8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione

8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione (PubChem CID 117263377) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione
PubChem CID117263377
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione
SMILESCNCCCn1c(=O)c2cccc(O)c2n(C)c1=O
InChIInChI=1S/C13H17N3O3/c1-14-7-4-8-16-12(18)9-5-3-6-10(17)11(9)15(2)13(16)19/h3,5-6,14,17H,4,7-8H2,1-2H3
InChIKeyNKIONIDDYJVXLM-UHFFFAOYSA-N
XLogP0.02
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262294
3-(3-aminopropyl)-1,8-dimethylquinazoline-2,4-dione
CID 117263358
8-hydroxy-1-methyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
CID 117263297
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
CID 30370658
3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid
CID 117263418
3-(aminomethyl)-1-methyl-8-(trifluoromethyl)quinazoline-2,4-dione
CID 117263247
N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine
CID 84626383
4-(aminomethyl)-8-hydroxy-1-methylquinolin-2-one
CID 115023405
1-[3-(benzylamino)propyl]-3,7-dimethylpurine-2,6-dione
CID 54209939
1-methyl-2-[2-(methylamino)ethyl]indol-7-ol
CID 117197124
7-chloro-3-[3-(methylamino)propyl]-1H-quinazoline-2,4-dione
CID 117263030
8-fluoro-3-[3-(methylamino)propyl]quinazolin-4-one
CID 117264812

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione?
The IUPAC name of 8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione (CID 117263377) is 8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione.
What is the SMILES notation for 8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione?
The canonical SMILES for 8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione is CNCCCn1c(=O)c2cccc(O)c2n(C)c1=O.
What is the InChIKey of 8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione?
The InChIKey is NKIONIDDYJVXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-14-7-4-8-16-12(18)9-5-3-6-10(17)11(9)15(2)13(16)19/h3,5-6,14,17H,4,7-8H2,1-2H3.
What are the key properties of 8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione?
8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-methyl-3-[3-(methylamino)propyl]quinazoline-2,4-dione is sourced from PubChem (CID 117263377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).