3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one

C15H21N3O4 — CID 171910792

IUPAC3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CCCCN)cnc2c(OC)c1OC
InChIInChI=1S/C15H21N3O4/c1-20-11-8-10-12(14(22-3)13(11)21-2)17-9-18(15(10)19)7-5-4-6-16/h8-9H,4-7,16H2,1-3H3
InChIKeyFKYPZKPHRYMCSZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.16
Rot. Bonds7

About 3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one

3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one (PubChem CID 171910792) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
PubChem CID171910792
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
SMILESCOc1cc2c(=O)n(CCCCN)cnc2c(OC)c1OC
InChIInChI=1S/C15H21N3O4/c1-20-11-8-10-12(14(22-3)13(11)21-2)17-9-18(15(10)19)7-5-4-6-16/h8-9H,4-7,16H2,1-3H3
InChIKeyFKYPZKPHRYMCSZ-UHFFFAOYSA-N
XLogP1.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171388321
3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171912180
3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913415
6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171388425
6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
3-[2-(benzotriazol-1-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171385492
3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910845
6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913094
6,7,8-trimethoxy-3-[(4-methoxypiperidin-4-yl)methyl]quinazolin-4-one
CID 171909580

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one?
The IUPAC name of 3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one (CID 171910792) is 3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one.
What is the SMILES notation for 3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one?
The canonical SMILES for 3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one is COc1cc2c(=O)n(CCCCN)cnc2c(OC)c1OC.
What is the InChIKey of 3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one?
The InChIKey is FKYPZKPHRYMCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-20-11-8-10-12(14(22-3)13(11)21-2)17-9-18(15(10)19)7-5-4-6-16/h8-9H,4-7,16H2,1-3H3.
What are the key properties of 3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one?
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one has a molecular weight of 307.35 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one is sourced from PubChem (CID 171910792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).