6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one

C15H20N4O3 — CID 154256825

IUPAC6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
SMILESNc1cc2c(=O)[nH]cnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C15H20N4O3/c16-12-8-11-13(17-10-18-15(11)20)9-14(12)22-5-1-2-19-3-6-21-7-4-19/h8-10H,1-7,16H2,(H,17,18,20)
InChIKeyHZPUQEDBAYDSJH-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.61
Rot. Bonds5

About 6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one

6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one (PubChem CID 154256825) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
PubChem CID154256825
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
SMILESNc1cc2c(=O)[nH]cnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C15H20N4O3/c16-12-8-11-13(17-10-18-15(11)20)9-14(12)22-5-1-2-19-3-6-21-7-4-19/h8-10H,1-7,16H2,(H,17,18,20)
InChIKeyHZPUQEDBAYDSJH-UHFFFAOYSA-N
XLogP0.61
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
5-chloro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
CID 154631494
8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one
CID 141053579
7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine
CID 141038732
4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10834412
7-(3-morpholin-4-ylpropoxy)-3H-benzimidazole-5-carboxylic acid
CID 157021072
7-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-6-methoxy-3H-quinazolin-4-one
CID 135496860
4-N-(3-chloro-4-fluorophenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10137640
N-[6-amino-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 10457581
4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 136956037
3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
CID 171834800
3-chloro-4-(3-morpholin-4-ylpropoxy)aniline
CID 123911683

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one (CID 154256825) is 6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one is Nc1cc2c(=O)[nH]cnc2cc1OCCCN1CCOCC1.
What is the InChIKey of 6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one?
The InChIKey is HZPUQEDBAYDSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c16-12-8-11-13(17-10-18-15(11)20)9-14(12)22-5-1-2-19-3-6-21-7-4-19/h8-10H,1-7,16H2,(H,17,18,20).
What are the key properties of 6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one?
6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one has a molecular weight of 304.35 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one is sourced from PubChem (CID 154256825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).