phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone

C24H21N5O — CID 2480686

IUPACphenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C24H21N5O/c30-24(18-7-2-1-3-8-18)29-15-13-28(14-16-29)23-20-10-4-5-11-21(20)26-22(27-23)19-9-6-12-25-17-19/h1-12,17H,13-16H2
InChIKeyJXNCOAULFNMKPP-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.65
Rot. Bonds3

About phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone

phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone (PubChem CID 2480686) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
PubChem CID2480686
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Namephenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
InChIInChI=1S/C24H21N5O/c30-24(18-7-2-1-3-8-18)29-15-13-28(14-16-29)23-20-10-4-5-11-21(20)26-22(27-23)19-9-6-12-25-17-19/h1-12,17H,13-16H2
InChIKeyJXNCOAULFNMKPP-UHFFFAOYSA-N
XLogP3.65
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
(2R)-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propan-1-ol
CID 95762506
N-cyclopentyl-2-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]propanamide
CID 133287736
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-pyridin-3-ylquinazoline
CID 133327764
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133316654
[4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 171988085
3-methoxy-1-(2-pyridin-3-ylquinazolin-4-yl)pyrrolidine-3-carboxylic acid
CID 167777227
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-pyridin-3-ylquinazoline
CID 133322897
2-pyridin-3-yl-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]quinazoline
CID 9338628
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133310277
1,3-oxazol-5-yl-[7-(2-pyridin-3-ylquinazolin-4-yl)-3,7-diazatricyclo[3.3.3.01,5]undecan-3-yl]methanone
CID 166329203

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone (CID 2480686) is phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1.
What is the InChIKey of phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone?
The InChIKey is JXNCOAULFNMKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c30-24(18-7-2-1-3-8-18)29-15-13-28(14-16-29)23-20-10-4-5-11-21(20)26-22(27-23)19-9-6-12-25-17-19/h1-12,17H,13-16H2.
What are the key properties of phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone?
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone has a molecular weight of 395.47 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2480686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).