6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine

C17H24N4O — CID 21002676

IUPAC6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESCCc1ccc2ncnc(NCCCN3CCOCC3)c2c1
InChIInChI=1S/C17H24N4O/c1-2-14-4-5-16-15(12-14)17(20-13-19-16)18-6-3-7-21-8-10-22-11-9-21/h4-5,12-13H,2-3,6-11H2,1H3,(H,18,19,20)
InChIKeySLUYSCULAUMPQW-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.33
Rot. Bonds6

About 6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine

6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (PubChem CID 21002676) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
PubChem CID21002676
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SMILESCCc1ccc2ncnc(NCCCN3CCOCC3)c2c1
InChIInChI=1S/C17H24N4O/c1-2-14-4-5-16-15(12-14)17(20-13-19-16)18-6-3-7-21-8-10-22-11-9-21/h4-5,12-13H,2-3,6-11H2,1H3,(H,18,19,20)
InChIKeySLUYSCULAUMPQW-UHFFFAOYSA-N
XLogP2.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 2076558
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
6-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 70854811
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
1,6-diethyl-N-(3-morpholin-4-ylpropyl)benzimidazol-2-amine
CID 143063274
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
6-morpholin-4-yl-N-propylquinazolin-4-amine
CID 56942638
2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol
CID 21002522
3-[2-[(6-ethylquinazolin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione
CID 21002721
6-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 3232787
2-[2-[(6-ethylquinazolin-4-yl)amino]ethoxy]ethanol
CID 21002673
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The IUPAC name of 6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine (CID 21002676) is 6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine.
What is the SMILES notation for 6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The canonical SMILES for 6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is CCc1ccc2ncnc(NCCCN3CCOCC3)c2c1.
What is the InChIKey of 6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
The InChIKey is SLUYSCULAUMPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-14-4-5-16-15(12-14)17(20-13-19-16)18-6-3-7-21-8-10-22-11-9-21/h4-5,12-13H,2-3,6-11H2,1H3,(H,18,19,20).
What are the key properties of 6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine?
6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine is sourced from PubChem (CID 21002676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).