1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone

C21H22N4O — CID 157306288

IUPAC1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone
SMILESCN1CCC(C(=O)Cc2ncc3ccc(-c4ccccn4)cc3n2)CC1
InChIInChI=1S/C21H22N4O/c1-25-10-7-15(8-11-25)20(26)13-21-23-14-17-6-5-16(12-19(17)24-21)18-4-2-3-9-22-18/h2-6,9,12,14-15H,7-8,10-11,13H2,1H3
InChIKeyBCMYNTBVLSFATK-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.15
Rot. Bonds4

About 1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone

1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone (PubChem CID 157306288) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone
PubChem CID157306288
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone
SMILESCN1CCC(C(=O)Cc2ncc3ccc(-c4ccccn4)cc3n2)CC1
InChIInChI=1S/C21H22N4O/c1-25-10-7-15(8-11-25)20(26)13-21-23-14-17-6-5-16(12-19(17)24-21)18-4-2-3-9-22-18/h2-6,9,12,14-15H,7-8,10-11,13H2,1H3
InChIKeyBCMYNTBVLSFATK-UHFFFAOYSA-N
XLogP3.15
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]quinazolin-7-yl]pyridine-3-carbonitrile
CID 147567938
1-(4,4-difluorocyclohexyl)-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147773317
1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone
CID 149124301
1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone
CID 146993840
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 147027857
2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide
CID 138587517
1-[4-(3,3-difluoropropyl)cyclohexyl]-2-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]ethanone
CID 160960640
1-cyclopropyl-2-[7-[6-[(1-fluorocyclobutyl)methylamino]pyrazin-2-yl]quinazolin-2-yl]ethanone
CID 158822930
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]propan-2-one
CID 161213264
1-[(3R)-piperidin-3-yl]-2-[7-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)quinazolin-2-yl]ethanone
CID 159849157
1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 159300631
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]-2-[7-(5-methyl-1,3,4-thiadiazol-2-yl)quinazolin-2-yl]ethanone
CID 162118784

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone (CID 157306288) is 1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone is CN1CCC(C(=O)Cc2ncc3ccc(-c4ccccn4)cc3n2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone?
The InChIKey is BCMYNTBVLSFATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-25-10-7-15(8-11-25)20(26)13-21-23-14-17-6-5-16(12-19(17)24-21)18-4-2-3-9-22-18/h2-6,9,12,14-15H,7-8,10-11,13H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone?
1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone has a molecular weight of 346.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone is sourced from PubChem (CID 157306288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).