3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one

C12H15N3O — CID 139774664

IUPAC3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one
SMILESCCC(C)=NN1Cc2ccccc2NC1=O
InChIInChI=1S/C12H15N3O/c1-3-9(2)14-15-8-10-6-4-5-7-11(10)13-12(15)16/h4-7H,3,8H2,1-2H3,(H,13,16)
InChIKeyQHOFSZZQWKFMHA-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.82
Rot. Bonds2

About 3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one

3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one (PubChem CID 139774664) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one
PubChem CID139774664
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one
SMILESCCC(C)=NN1Cc2ccccc2NC1=O
InChIInChI=1S/C12H15N3O/c1-3-9(2)14-15-8-10-6-4-5-7-11(10)13-12(15)16/h4-7H,3,8H2,1-2H3,(H,13,16)
InChIKeyQHOFSZZQWKFMHA-UHFFFAOYSA-N
XLogP2.82
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-diethylphenyl)-1,4-dihydroquinazolin-2-one
CID 11425997
3-[(E)-(6-chloro-3-pyridinyl)methylideneamino]-1,4-dihydroquinazolin-2-one
CID 59052634
4-ethylsulfonyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 65365747
5-ethyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one
CID 134786768
ethane;4-methyl-3-(2-oxopropyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 91068353
1-propanoyl-3-(propan-2-ylideneamino)-4H-quinazolin-2-one
CID 139774660
ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 145302295
5-ethylspiro[3,6-dihydro-1H-1,5-benzodiazocine-2,4'-piperidine]-4-one
CID 155982691
4-(2-propylpentanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 82989503
3-piperidin-1-ium-4-yl-1,4-dihydroquinazolin-2-one acetate
CID 67318866
5-ethylspiro[3,6-dihydro-1H-1,5-benzodiazocine-2,4'-piperidine]-4-one;dihydrochloride
CID 171687873
5-methyl-1,3,4,6-tetrahydro-1,5-benzodiazocin-2-one
CID 89129772

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one (CID 139774664) is 3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one is CCC(C)=NN1Cc2ccccc2NC1=O.
What is the InChIKey of 3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one?
The InChIKey is QHOFSZZQWKFMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-9(2)14-15-8-10-6-4-5-7-11(10)13-12(15)16/h4-7H,3,8H2,1-2H3,(H,13,16).
What are the key properties of 3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one?
3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylideneamino)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 139774664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).