2-(5-methoxypentylamino)-3H-quinazolin-4-one

C14H19N3O2 — CID 137264454

IUPAC2-(5-methoxypentylamino)-3H-quinazolin-4-one
SMILESCOCCCCCNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c1-19-10-6-2-5-9-15-14-16-12-8-4-3-7-11(12)13(18)17-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,15,16,17,18)
InChIKeyUVOHVPXVBSUHER-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.15
Rot. Bonds7

About 2-(5-methoxypentylamino)-3H-quinazolin-4-one

2-(5-methoxypentylamino)-3H-quinazolin-4-one (PubChem CID 137264454) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(5-methoxypentylamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(5-methoxypentylamino)-3H-quinazolin-4-one
PubChem CID137264454
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(5-methoxypentylamino)-3H-quinazolin-4-one
SMILESCOCCCCCNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c1-19-10-6-2-5-9-15-14-16-12-8-4-3-7-11(12)13(18)17-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,15,16,17,18)
InChIKeyUVOHVPXVBSUHER-UHFFFAOYSA-N
XLogP2.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.15
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-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 137257492
2-[(4-methoxy-2,2-dimethylbutyl)amino]-3H-quinazolin-4-one
CID 137273780
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide
CID 137268380
2-[(3-hydroxy-3-phenylbutyl)amino]-3H-quinazolin-4-one
CID 137267444
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
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-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-3H-quinazolin-4-one
CID 137266334
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one
CID 137264955
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxypentylamino)-3H-quinazolin-4-one?
The IUPAC name of 2-(5-methoxypentylamino)-3H-quinazolin-4-one (CID 137264454) is 2-(5-methoxypentylamino)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(5-methoxypentylamino)-3H-quinazolin-4-one?
The canonical SMILES for 2-(5-methoxypentylamino)-3H-quinazolin-4-one is COCCCCCNc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(5-methoxypentylamino)-3H-quinazolin-4-one?
The InChIKey is UVOHVPXVBSUHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-10-6-2-5-9-15-14-16-12-8-4-3-7-11(12)13(18)17-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(5-methoxypentylamino)-3H-quinazolin-4-one?
2-(5-methoxypentylamino)-3H-quinazolin-4-one has a molecular weight of 261.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxypentylamino)-3H-quinazolin-4-one is sourced from PubChem (CID 137264454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).