7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline

C19H26N4O — CID 68695903

IUPAC7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline
SMILESCN1CCCC1COc1ccc2c(C3CCNCC3)ncnc2c1
InChIInChI=1S/C19H26N4O/c1-23-10-2-3-15(23)12-24-16-4-5-17-18(11-16)21-13-22-19(17)14-6-8-20-9-7-14/h4-5,11,13-15,20H,2-3,6-10,12H2,1H3
InChIKeyROJMXIDHTVTIKC-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.57
Rot. Bonds4

About 7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline

7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline (PubChem CID 68695903) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline.

Molecular Properties

Compound Name7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline
PubChem CID68695903
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline
SMILESCN1CCCC1COc1ccc2c(C3CCNCC3)ncnc2c1
InChIInChI=1S/C19H26N4O/c1-23-10-2-3-15(23)12-24-16-4-5-17-18(11-16)21-13-22-19(17)14-6-8-20-9-7-14/h4-5,11,13-15,20H,2-3,6-10,12H2,1H3
InChIKeyROJMXIDHTVTIKC-UHFFFAOYSA-N
XLogP2.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69261813
4-(azepan-4-yl)-7-methoxyquinazoline
CID 162748452
7-[3-(4-methylsulfanylpiperazin-1-yl)propoxy]-4-piperidin-4-ylquinazoline
CID 143371236
N,N-diethyl-2-(4-piperidin-4-ylquinazolin-7-yl)oxyethanamine
CID 59551670
7-(4-methylpiperazin-1-yl)-4-piperidin-4-ylquinazoline
CID 59551688
6-[(1-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076339
7-(oxolan-3-yloxy)-4-piperidin-4-ylquinazoline
CID 68693804
N-[3-(4-methylpiperazin-1-yl)propyl]-4-piperidin-4-ylquinazolin-7-amine
CID 59551735
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
2-methyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54335638
3-[(1-methylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 117051893
(2S)-2-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpyrrolidine
CID 143189445

Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline?
The IUPAC name of 7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline (CID 68695903) is 7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline.
What is the SMILES notation for 7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline?
The canonical SMILES for 7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline is CN1CCCC1COc1ccc2c(C3CCNCC3)ncnc2c1.
What is the InChIKey of 7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline?
The InChIKey is ROJMXIDHTVTIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-23-10-2-3-15(23)12-24-16-4-5-17-18(11-16)21-13-22-19(17)14-6-8-20-9-7-14/h4-5,11,13-15,20H,2-3,6-10,12H2,1H3.
What are the key properties of 7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline?
7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline has a molecular weight of 326.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline is sourced from PubChem (CID 68695903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).