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

C23H27N5 — CID 133396172

IUPAC4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
SMILESCC1CCCN1C1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C23H27N5/c1-17-5-4-14-28(17)19-10-15-27(16-11-19)23-20-6-2-3-7-21(20)25-22(26-23)18-8-12-24-13-9-18/h2-3,6-9,12-13,17,19H,4-5,10-11,14-16H2,1H3
InChIKeyFQGSBENQNLGGMS-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.14
Rot. Bonds3

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

4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline (PubChem CID 133396172) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
PubChem CID133396172
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
SMILESCC1CCCN1C1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C23H27N5/c1-17-5-4-14-28(17)19-10-15-27(16-11-19)23-20-6-2-3-7-21(20)25-22(26-23)18-8-12-24-13-9-18/h2-3,6-9,12-13,17,19H,4-5,10-11,14-16H2,1H3
InChIKeyFQGSBENQNLGGMS-UHFFFAOYSA-N
XLogP4.14
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 133315668
N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 49431018
1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528
4-(4,4-difluoropiperidin-1-yl)-2-pyridin-4-ylquinazoline
CID 71296020
2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
CID 20963253
N-methylsulfanyl-1-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-yl]methanamine
CID 142582671
(3S)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-3-carboxamide
CID 94434184
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]quinoline
CID 133396296
(2R)-1-[4-(2-pyridin-4-ylquinazolin-4-yl)piperazin-1-yl]propan-2-ol
CID 95150705
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine
CID 133396303

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline?
The IUPAC name of 4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline (CID 133396172) is 4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline?
The canonical SMILES for 4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline is CC1CCCN1C1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1.
What is the InChIKey of 4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline?
The InChIKey is FQGSBENQNLGGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-17-5-4-14-28(17)19-10-15-27(16-11-19)23-20-6-2-3-7-21(20)25-22(26-23)18-8-12-24-13-9-18/h2-3,6-9,12-13,17,19H,4-5,10-11,14-16H2,1H3.
What are the key properties of 4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline?
4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline has a molecular weight of 373.50 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline is sourced from PubChem (CID 133396172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).