1-methyl-4,6,7,8-tetrahydroquinazolin-5-one

C9H12N2O — CID 141268233

IUPAC1-methyl-4,6,7,8-tetrahydroquinazolin-5-one
SMILESCN1C=NCC2=C1CCCC2=O
InChIInChI=1S/C9H12N2O/c1-11-6-10-5-7-8(11)3-2-4-9(7)12/h6H,2-5H2,1H3
InChIKeyZKZOXPYUTDCFKJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.97
Rot. Bonds

About 1-methyl-4,6,7,8-tetrahydroquinazolin-5-one

1-methyl-4,6,7,8-tetrahydroquinazolin-5-one (PubChem CID 141268233) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-methyl-4,6,7,8-tetrahydroquinazolin-5-one.

Molecular Properties

Compound Name1-methyl-4,6,7,8-tetrahydroquinazolin-5-one
PubChem CID141268233
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-methyl-4,6,7,8-tetrahydroquinazolin-5-one
SMILESCN1C=NCC2=C1CCCC2=O
InChIInChI=1S/C9H12N2O/c1-11-6-10-5-7-8(11)3-2-4-9(7)12/h6H,2-5H2,1H3
InChIKeyZKZOXPYUTDCFKJ-UHFFFAOYSA-N
XLogP0.97
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 143028406
ethane;1-methyl-5,6-dihydro-4H-1,3-diazepin-7-one
CID 142224289
9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 704550
(2S)-1-acetyl-2-methyl-4,6,7,8-tetrahydro-2H-quinoline-3,5-dione
CID 134856761
9-(4-chlorophenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 1088711
2-methyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 12641304
1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[c]quinolizin-7-one
CID 24971554
9-(5-bromo-2-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 126043079
ethyl 1-(3-bromophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate
CID 86734723
3-methyl-6,7-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-4,8-dione
CID 11333777
N-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl)benzamide
CID 101083306
9-(3,5-dichloro-4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 1078580

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,6,7,8-tetrahydroquinazolin-5-one?
The IUPAC name of 1-methyl-4,6,7,8-tetrahydroquinazolin-5-one (CID 141268233) is 1-methyl-4,6,7,8-tetrahydroquinazolin-5-one.
What is the SMILES notation for 1-methyl-4,6,7,8-tetrahydroquinazolin-5-one?
The canonical SMILES for 1-methyl-4,6,7,8-tetrahydroquinazolin-5-one is CN1C=NCC2=C1CCCC2=O.
What is the InChIKey of 1-methyl-4,6,7,8-tetrahydroquinazolin-5-one?
The InChIKey is ZKZOXPYUTDCFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-6-10-5-7-8(11)3-2-4-9(7)12/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-4,6,7,8-tetrahydroquinazolin-5-one?
1-methyl-4,6,7,8-tetrahydroquinazolin-5-one has a molecular weight of 164.21 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,6,7,8-tetrahydroquinazolin-5-one is sourced from PubChem (CID 141268233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).