3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one

C17H25N3O — CID 62563376

IUPAC3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one
SMILESCCCCCC(C)NCCn1cnc2ccccc2c1=O
InChIInChI=1S/C17H25N3O/c1-3-4-5-8-14(2)18-11-12-20-13-19-16-10-7-6-9-15(16)17(20)21/h6-7,9-10,13-14,18H,3-5,8,11-12H2,1-2H3
InChIKeyPOVARFKWCWUFQO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.95
Rot. Bonds8

About 3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one

3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one (PubChem CID 62563376) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one
PubChem CID62563376
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one
SMILESCCCCCC(C)NCCn1cnc2ccccc2c1=O
InChIInChI=1S/C17H25N3O/c1-3-4-5-8-14(2)18-11-12-20-13-19-16-10-7-6-9-15(16)17(20)21/h6-7,9-10,13-14,18H,3-5,8,11-12H2,1-2H3
InChIKeyPOVARFKWCWUFQO-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one
CID 3026481
3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
3-[3-(3-phenylpropylamino)butyl]quinazolin-4-one
CID 136821785
3-[2-(heptan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one
CID 62566724
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
3-propylquinazolin-4-one
CID 529124
3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one
CID 62563208
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]heptan-2-amine
CID 63502282
1-[2-(heptan-2-ylamino)ethyl]pyrimidin-2-one
CID 62562236

Frequently Asked Questions

What is the IUPAC name of 3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one (CID 62563376) is 3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one is CCCCCC(C)NCCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one?
The InChIKey is POVARFKWCWUFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-4-5-8-14(2)18-11-12-20-13-19-16-10-7-6-9-15(16)17(20)21/h6-7,9-10,13-14,18H,3-5,8,11-12H2,1-2H3.
What are the key properties of 3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one?
3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one has a molecular weight of 287.41 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 62563376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).