2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline

C17H23N3O2 — CID 69089727

IUPAC2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
SMILESCOc1ncc2ccc(OCCCN3CCCCC3)cc2n1
InChIInChI=1S/C17H23N3O2/c1-21-17-18-13-14-6-7-15(12-16(14)19-17)22-11-5-10-20-8-3-2-4-9-20/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyKCAGJFXJFFNSTJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.89
Rot. Bonds6

About 2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline

2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline (PubChem CID 69089727) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline.

Molecular Properties

Compound Name2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
PubChem CID69089727
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline
SMILESCOc1ncc2ccc(OCCCN3CCCCC3)cc2n1
InChIInChI=1S/C17H23N3O2/c1-21-17-18-13-14-6-7-15(12-16(14)19-17)22-11-5-10-20-8-3-2-4-9-20/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyKCAGJFXJFFNSTJ-UHFFFAOYSA-N
XLogP2.89
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482
2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride
CID 157322851
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174283606
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
1-[3-(4-bromo-3-methoxyphenoxy)propyl]azetidine
CID 126495619
7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 22649254
2,7-bis(3-piperidin-1-ylpropoxy)phenanthren-9-ol
CID 91179253

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline?
The IUPAC name of 2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline (CID 69089727) is 2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline.
What is the SMILES notation for 2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline?
The canonical SMILES for 2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline is COc1ncc2ccc(OCCCN3CCCCC3)cc2n1.
What is the InChIKey of 2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline?
The InChIKey is KCAGJFXJFFNSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-21-17-18-13-14-6-7-15(12-16(14)19-17)22-11-5-10-20-8-3-2-4-9-20/h6-7,12-13H,2-5,8-11H2,1H3.
What are the key properties of 2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline?
2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline has a molecular weight of 301.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-(3-piperidin-1-ylpropoxy)quinazoline is sourced from PubChem (CID 69089727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).