2-(butylamino)-1-methylquinazolin-4-one

C13H17N3O — CID 10513705

IUPAC2-(butylamino)-1-methylquinazolin-4-one
SMILESCCCCNc1nc(=O)c2ccccc2n1C
InChIInChI=1S/C13H17N3O/c1-3-4-9-14-13-15-12(17)10-7-5-6-8-11(10)16(13)2/h5-8H,3-4,9H2,1-2H3,(H,14,15,17)
InChIKeyHGDBLDGZAVNRLH-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.15
Rot. Bonds4

About 2-(butylamino)-1-methylquinazolin-4-one

2-(butylamino)-1-methylquinazolin-4-one (PubChem CID 10513705) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(butylamino)-1-methylquinazolin-4-one.

Molecular Properties

Compound Name2-(butylamino)-1-methylquinazolin-4-one
PubChem CID10513705
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(butylamino)-1-methylquinazolin-4-one
SMILESCCCCNc1nc(=O)c2ccccc2n1C
InChIInChI=1S/C13H17N3O/c1-3-4-9-14-13-15-12(17)10-7-5-6-8-11(10)16(13)2/h5-8H,3-4,9H2,1-2H3,(H,14,15,17)
InChIKeyHGDBLDGZAVNRLH-UHFFFAOYSA-N
XLogP2.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.15
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

4-(butylamino)-1-methylquinolin-2-one
CID 81244865
2-anilino-1-butylquinazolin-4-one
CID 23731821
4-(butylamino)-1-methyl-3-nitroquinolin-2-one
CID 2877741
1-ethyl-2-hydrazinylquinazolin-4-one
CID 13233379
N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
CID 4884614
2-(1,3-benzoxazol-2-ylamino)-1-methylquinazolin-4-one
CID 920400
N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045
3-[2-(butylamino)benzimidazol-1-yl]-1,4-dihydropyrazol-5-one
CID 171342812
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
1-methyl-1,4-benzodiazepine-2,5-dione
CID 22316535
10-[2-(ethylamino)ethyl]acridin-9-one
CID 61387070

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-methylquinazolin-4-one?
The IUPAC name of 2-(butylamino)-1-methylquinazolin-4-one (CID 10513705) is 2-(butylamino)-1-methylquinazolin-4-one.
What is the SMILES notation for 2-(butylamino)-1-methylquinazolin-4-one?
The canonical SMILES for 2-(butylamino)-1-methylquinazolin-4-one is CCCCNc1nc(=O)c2ccccc2n1C.
What is the InChIKey of 2-(butylamino)-1-methylquinazolin-4-one?
The InChIKey is HGDBLDGZAVNRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-4-9-14-13-15-12(17)10-7-5-6-8-11(10)16(13)2/h5-8H,3-4,9H2,1-2H3,(H,14,15,17).
What are the key properties of 2-(butylamino)-1-methylquinazolin-4-one?
2-(butylamino)-1-methylquinazolin-4-one has a molecular weight of 231.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-methylquinazolin-4-one is sourced from PubChem (CID 10513705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).