7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one

C12H16N2O2 — CID 105475927

IUPAC7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one
SMILESCOc1ccc2c(c1)NC(=O)NC2C(C)C
InChIInChI=1S/C12H16N2O2/c1-7(2)11-9-5-4-8(16-3)6-10(9)13-12(15)14-11/h4-7,11H,1-3H3,(H2,13,14,15)
InChIKeyIQNUVEBLDFINNM-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.53
Rot. Bonds2

About 7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one

7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 105475927) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one
PubChem CID105475927
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one
SMILESCOc1ccc2c(c1)NC(=O)NC2C(C)C
InChIInChI=1S/C12H16N2O2/c1-7(2)11-9-5-4-8(16-3)6-10(9)13-12(15)14-11/h4-7,11H,1-3H3,(H2,13,14,15)
InChIKeyIQNUVEBLDFINNM-UHFFFAOYSA-N
XLogP2.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-6-methoxy-1,3-dihydroindol-2-one
CID 53407740
4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one
CID 105458950
4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one
CID 138388367
2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 79730196
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
5-methoxy-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
CID 115002941
5-methoxy-2-methyl-2,3-dihydro-1H-benzimidazole
CID 143474953
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 102879788
5-methoxy-3-(3-methylbutan-2-ylamino)-1,3-dihydroindol-2-one
CID 114990091
(3S)-6-chloro-3-[(3-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 51971626
(3S,8S)-5-(4-methoxyphenoxy)-3,8-di(propan-2-yl)-1,6-dioxa-4,9-diaza-5λ5-phosphaspiro[4.4]nonane-2,7-dione
CID 102344880

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one (CID 105475927) is 7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one is COc1ccc2c(c1)NC(=O)NC2C(C)C.
What is the InChIKey of 7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is IQNUVEBLDFINNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(2)11-9-5-4-8(16-3)6-10(9)13-12(15)14-11/h4-7,11H,1-3H3,(H2,13,14,15).
What are the key properties of 7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one?
7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 220.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-propan-2-yl-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 105475927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).