1-propan-2-yl-3,4-dihydroquinazolin-2-one

C11H14N2O — CID 58860770

IUPAC1-propan-2-yl-3,4-dihydroquinazolin-2-one
SMILESCC(C)N1C(=O)NCc2ccccc21
InChIInChI=1S/C11H14N2O/c1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14/h3-6,8H,7H2,1-2H3,(H,12,14)
InChIKeyLLUIIEXKKRKPSS-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.12
Rot. Bonds1

About 1-propan-2-yl-3,4-dihydroquinazolin-2-one

1-propan-2-yl-3,4-dihydroquinazolin-2-one (PubChem CID 58860770) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-propan-2-yl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3,4-dihydroquinazolin-2-one
PubChem CID58860770
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-propan-2-yl-3,4-dihydroquinazolin-2-one
SMILESCC(C)N1C(=O)NCc2ccccc21
InChIInChI=1S/C11H14N2O/c1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14/h3-6,8H,7H2,1-2H3,(H,12,14)
InChIKeyLLUIIEXKKRKPSS-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 57415940
6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 123927740
1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
CID 176690662
1-methyl-5-propan-2-yl-1,3,5-benzotriazepine-2,4-dione
CID 141365224
methyl N-(2-oxo-3,4-dihydroquinazolin-1-yl)ethanimidate
CID 139774659
(3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid
CID 98125729
(4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 124507823
1-oxido-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 89406142
11-iodo-5,6-dihydrobenzo[b][1,4]benzodiazepine
CID 139448441
1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one
CID 164714480
1,2,11-tri(propan-2-yl)-5,6-dihydrobenzo[b][1]benzazepine
CID 118217240
11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine
CID 70973534

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 1-propan-2-yl-3,4-dihydroquinazolin-2-one (CID 58860770) is 1-propan-2-yl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 1-propan-2-yl-3,4-dihydroquinazolin-2-one is CC(C)N1C(=O)NCc2ccccc21.
What is the InChIKey of 1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The InChIKey is LLUIIEXKKRKPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14/h3-6,8H,7H2,1-2H3,(H,12,14).
What are the key properties of 1-propan-2-yl-3,4-dihydroquinazolin-2-one?
1-propan-2-yl-3,4-dihydroquinazolin-2-one has a molecular weight of 190.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 58860770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).