(2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

C24H21N5O — CID 56941689

IUPAC(2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1nc(-c2ccccc2)nc2ccccc12)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H21N5O/c30-24(29-16-14-28(15-17-29)19-10-12-25-13-11-19)22-20-8-4-5-9-21(20)26-23(27-22)18-6-2-1-3-7-18/h1-13H,14-17H2
InChIKeyLARKSTXSOAHAQU-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.65
Rot. Bonds3

About (2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone

(2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 56941689) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is (2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID56941689
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name(2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1nc(-c2ccccc2)nc2ccccc12)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H21N5O/c30-24(29-16-14-28(15-17-29)19-10-12-25-13-11-19)22-20-8-4-5-9-21(20)26-23(27-22)18-6-2-1-3-7-18/h1-13H,14-17H2
InChIKeyLARKSTXSOAHAQU-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

azepan-1-yl-(2-phenylquinazolin-4-yl)methanone
CID 13336375
(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110702833
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
2-methyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 9254342
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
[4-(2-phenylethynyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38027713
3-(4-pyridin-4-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
CID 56810086
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(4-nitrophenyl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375114
(3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048920

Frequently Asked Questions

What is the IUPAC name of (2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 56941689) is (2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C(c1nc(-c2ccccc2)nc2ccccc12)N1CCN(c2ccncc2)CC1.
What is the InChIKey of (2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is LARKSTXSOAHAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c30-24(29-16-14-28(15-17-29)19-10-12-25-13-11-19)22-20-8-4-5-9-21(20)26-23(27-22)18-6-2-1-3-7-18/h1-13H,14-17H2.
What are the key properties of (2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone?
(2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-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 (2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 56941689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).