6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one

C13H18N4O2 — CID 136808802

IUPAC6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one
SMILESCCN(CCOC)c1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C13H18N4O2/c1-3-17(6-7-19-2)13-15-11-5-4-9(14)8-10(11)12(18)16-13/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,16,18)
InChIKeyPHCZBRYOMIGADX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.98
Rot. Bonds5

About 6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one

6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one (PubChem CID 136808802) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one
PubChem CID136808802
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one
SMILESCCN(CCOC)c1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C13H18N4O2/c1-3-17(6-7-19-2)13-15-11-5-4-9(14)8-10(11)12(18)16-13/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,16,18)
InChIKeyPHCZBRYOMIGADX-UHFFFAOYSA-N
XLogP0.98
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-[3-methoxypropyl(methyl)amino]-3H-quinazolin-4-one
CID 136808989
6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one
CID 136808661
6-amino-2-[propan-2-yl(propyl)amino]-3H-quinazolin-4-one
CID 136808665
6-amino-2-[methyl(2-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136809047
6-amino-2-[methyl(4-methylsulfanylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136809328
6-amino-2-propylsulfanyl-3H-quinazolin-4-one
CID 136809622
6-amino-2-[methyl(thiolan-3-yl)amino]-3H-quinazolin-4-one
CID 136808674
6-amino-2-methylsulfanyl-3H-quinazolin-4-one
CID 136809642
6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
CID 136809214
6-amino-2-[(2-hydroxycyclohexyl)-methylamino]-3H-quinazolin-4-one
CID 136809356
6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one
CID 136808930
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one (CID 136808802) is 6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one is CCN(CCOC)c1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one?
The InChIKey is PHCZBRYOMIGADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-17(6-7-19-2)13-15-11-5-4-9(14)8-10(11)12(18)16-13/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,16,18).
What are the key properties of 6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one?
6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one has a molecular weight of 262.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[ethyl(2-methoxyethyl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 136808802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).