4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline

C26H33N5O2 — CID 126462562

IUPAC4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline
SMILESCOCC1CCCN(c2nc(CN3CCC(Oc4cccnc4)CC3)nc3ccccc23)C1
InChIInChI=1S/C26H33N5O2/c1-32-19-20-6-5-13-31(17-20)26-23-8-2-3-9-24(23)28-25(29-26)18-30-14-10-21(11-15-30)33-22-7-4-12-27-16-22/h2-4,7-9,12,16,20-21H,5-6,10-11,13-15,17-19H2,1H3
InChIKeyMWVZVFADBRVEDU-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.93
Rot. Bonds7

About 4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline

4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline (PubChem CID 126462562) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline.

Molecular Properties

Compound Name4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline
PubChem CID126462562
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline
SMILESCOCC1CCCN(c2nc(CN3CCC(Oc4cccnc4)CC3)nc3ccccc23)C1
InChIInChI=1S/C26H33N5O2/c1-32-19-20-6-5-13-31(17-20)26-23-8-2-3-9-24(23)28-25(29-26)18-30-14-10-21(11-15-30)33-22-7-4-12-27-16-22/h2-4,7-9,12,16,20-21H,5-6,10-11,13-15,17-19H2,1H3
InChIKeyMWVZVFADBRVEDU-UHFFFAOYSA-N
XLogP3.93
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline with MolForge

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Related Compounds

N-[[4-[3-(methoxymethyl)piperidin-1-yl]quinazolin-2-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
CID 126462109
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
2-(difluoromethyl)-4-[3-(phenoxymethyl)piperidin-1-yl]quinazoline
CID 133308282
4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 163354927
2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline
CID 62478018
2-(3-pyridin-3-yloxypiperidin-1-yl)quinoline
CID 166603710
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
2,4-dimethoxy-6-(3-pyridin-3-yloxypiperidin-1-yl)-1,3,5-triazine
CID 166602870
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
CID 80792862
2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline
CID 102963258
2-pyridin-3-yl-4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]quinazoline
CID 2540547

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline?
The IUPAC name of 4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline (CID 126462562) is 4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline.
What is the SMILES notation for 4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline?
The canonical SMILES for 4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline is COCC1CCCN(c2nc(CN3CCC(Oc4cccnc4)CC3)nc3ccccc23)C1.
What is the InChIKey of 4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline?
The InChIKey is MWVZVFADBRVEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-32-19-20-6-5-13-31(17-20)26-23-8-2-3-9-24(23)28-25(29-26)18-30-14-10-21(11-15-30)33-22-7-4-12-27-16-22/h2-4,7-9,12,16,20-21H,5-6,10-11,13-15,17-19H2,1H3.
What are the key properties of 4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline?
4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline has a molecular weight of 447.58 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)piperidin-1-yl]-2-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]quinazoline is sourced from PubChem (CID 126462562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).