1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one

C10H14N2O — CID 141003362

IUPAC1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one
SMILESCN1CC2CC=CC=C2N(C)C1=O
InChIInChI=1S/C10H14N2O/c1-11-7-8-5-3-4-6-9(8)12(2)10(11)13/h3-4,6,8H,5,7H2,1-2H3
InChIKeyDSEDDMLMEFWPER-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.44
Rot. Bonds

About 1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one

1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one (PubChem CID 141003362) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one
PubChem CID141003362
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one
SMILESCN1CC2CC=CC=C2N(C)C1=O
InChIInChI=1S/C10H14N2O/c1-11-7-8-5-3-4-6-9(8)12(2)10(11)13/h3-4,6,8H,5,7H2,1-2H3
InChIKeyDSEDDMLMEFWPER-UHFFFAOYSA-N
XLogP1.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline
CID 175608763
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2-methyl-1,3,3a,4-tetrahydroisoindole
CID 66962228
2-(4-methyl-3-oxo-2,5,5a,6-tetrahydro-1H-1,4-benzodiazepin-2-yl)acetic acid
CID 70210370
4-methyl-2,3,8,8a-tetrahydro-1,4-benzothiazine
CID 163573957
(3aS,7aR)-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11030173
2-fluoro-2,3,3a,4-tetrahydroinden-1-one
CID 151740601
1,3,3a,4-tetrahydroisoindole-2-carboxamide
CID 153489139
1-butyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 70628816
1-methyl-2-(1-methyl-2H-pyridin-6-yl)-2H-pyridine
CID 22964177
1-hydroxy-3,4,4a,5-tetrahydro-2H-quinoline-2-carboxylic acid
CID 154430045
naphthalen-2-yl 1,3-dimethyl-2,4-dioxo-1,3-diazinane-5-sulfonate
CID 78459634

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one?
The IUPAC name of 1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one (CID 141003362) is 1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one.
What is the SMILES notation for 1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one?
The canonical SMILES for 1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one is CN1CC2CC=CC=C2N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one?
The InChIKey is DSEDDMLMEFWPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-11-7-8-5-3-4-6-9(8)12(2)10(11)13/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one?
1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4a,5-dihydro-4H-quinazolin-2-one is sourced from PubChem (CID 141003362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).