6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine

C17H24N4O2 — CID 22649262

IUPAC6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(N)ncnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C17H24N4O2/c1-22-15-10-13-14(19-12-20-17(13)18)11-16(15)23-9-5-8-21-6-3-2-4-7-21/h10-12H,2-9H2,1H3,(H2,18,19,20)
InChIKeyHLISXUCXKGRHMG-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.48
Rot. Bonds6

About 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine

6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine (PubChem CID 22649262) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
PubChem CID22649262
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(N)ncnc2cc1OCCCN1CCCCC1
InChIInChI=1S/C17H24N4O2/c1-22-15-10-13-14(19-12-20-17(13)18)11-16(15)23-9-5-8-21-6-3-2-4-7-21/h10-12H,2-9H2,1H3,(H2,18,19,20)
InChIKeyHLISXUCXKGRHMG-UHFFFAOYSA-N
XLogP2.48
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol
CID 141094981
2-[1-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperidin-2-yl]ethanol
CID 141094972
4-chloro-7-(3-pyrrolidin-1-ylpropoxy)-6-(trideuteriomethoxy)quinazoline
CID 87631738
6-methoxy-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 177382773
7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 154458074
7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 22649254
8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135155449
6-methoxy-4-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile
CID 69171695
4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 91423965
N-(1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 10296738
6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 22030540
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine?
The IUPAC name of 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine (CID 22649262) is 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine is COc1cc2c(N)ncnc2cc1OCCCN1CCCCC1.
What is the InChIKey of 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine?
The InChIKey is HLISXUCXKGRHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-22-15-10-13-14(19-12-20-17(13)18)11-16(15)23-9-5-8-21-6-3-2-4-7-21/h10-12H,2-9H2,1H3,(H2,18,19,20).
What are the key properties of 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine?
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 22649262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).