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

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N-(4-methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido(4,5-d)pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 11478363
Jnk-IN-8
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Cgp-74588
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Sgi-1027
CID 24858111
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11518031
4-Azanyl-6-[[(1~{s})-1-(6-Fluoranyl-3-Phenyl-4-Piperazin-1-Ylcarbonyl-Quinolin-2-Yl)ethyl]amino]pyrimidine-5-Carbonitrile
CID 49872646
Jnk-IN-7
CID 57340685
PDGFRalpha kinase inhibitor 1
CID 129318936
Methyl 1-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)piperidine-4-carboxylate
CID 23629645

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).