piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone

C18H22N4O — CID 71842473

IUPACpiperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
SMILESO=C(c1ccc2ncnc(N3CCCC3)c2c1)N1CCCCC1
InChIInChI=1S/C18H22N4O/c23-18(22-10-2-1-3-11-22)14-6-7-16-15(12-14)17(20-13-19-16)21-8-4-5-9-21/h6-7,12-13H,1-5,8-11H2
InChIKeyVAAZXKRICIFUEK-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.86
Rot. Bonds2

About piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone

piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone (PubChem CID 71842473) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
PubChem CID71842473
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Namepiperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
SMILESO=C(c1ccc2ncnc(N3CCCC3)c2c1)N1CCCCC1
InChIInChI=1S/C18H22N4O/c23-18(22-10-2-1-3-11-22)14-6-7-16-15(12-14)17(20-13-19-16)21-8-4-5-9-21/h6-7,12-13H,1-5,8-11H2
InChIKeyVAAZXKRICIFUEK-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842499
N-butan-2-yl-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71842520
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)quinazoline-6-carboxamide
CID 71842437
N-(1-phenylethyl)-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842432
N-[[4-(dimethylamino)phenyl]methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71830338
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778
cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
CID 126896004
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
4-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)quinazoline-6-carboxamide
CID 71842451
4-(azepan-1-yl)quinazoline
CID 5207391
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone?
The IUPAC name of piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone (CID 71842473) is piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone?
The canonical SMILES for piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone is O=C(c1ccc2ncnc(N3CCCC3)c2c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone?
The InChIKey is VAAZXKRICIFUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(22-10-2-1-3-11-22)14-6-7-16-15(12-14)17(20-13-19-16)21-8-4-5-9-21/h6-7,12-13H,1-5,8-11H2.
What are the key properties of piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone?
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone is sourced from PubChem (CID 71842473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).