2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one

C15H21N3O2 — CID 137257492

IUPAC2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
SMILESCC(C)OCCCCNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H21N3O2/c1-11(2)20-10-6-5-9-16-15-17-13-8-4-3-7-12(13)14(19)18-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyJDBPGALLANZDLT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.54
Rot. Bonds7

About 2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one

2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one (PubChem CID 137257492) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
PubChem CID137257492
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
SMILESCC(C)OCCCCNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H21N3O2/c1-11(2)20-10-6-5-9-16-15-17-13-8-4-3-7-12(13)14(19)18-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyJDBPGALLANZDLT-UHFFFAOYSA-N
XLogP2.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methoxypentylamino)-3H-quinazolin-4-one
CID 137264454
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
CID 137273780
2-[3-[[(3S)-oxolan-3-yl]methoxy]propylamino]-3H-quinazolin-4-one
CID 136764296
2-[3-(2-hydroxycyclohexyl)propylamino]-3H-quinazolin-4-one
CID 137265029
2-propan-2-yloxyethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 137300073
2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one
CID 137269880
2-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one
CID 137266334
2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide
CID 137268380
N-(4-propan-2-yloxybutyl)quinazolin-2-amine
CID 106012372
4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
CID 136779988

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one (CID 137257492) is 2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one is CC(C)OCCCCNc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one?
The InChIKey is JDBPGALLANZDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)20-10-6-5-9-16-15-17-13-8-4-3-7-12(13)14(19)18-15/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one?
2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one has a molecular weight of 275.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one is sourced from PubChem (CID 137257492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).