(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

C20H20N4O — CID 110702833

IUPAC(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C20H20N4O/c1-15-21-18-10-6-5-9-17(18)19(22-15)20(25)24-13-11-23(12-14-24)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeyNKUUHKQXEWTUNY-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.90
Rot. Bonds2

About (2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone

(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 110702833) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID110702833
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C20H20N4O/c1-15-21-18-10-6-5-9-17(18)19(22-15)20(25)24-13-11-23(12-14-24)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3
InChIKeyNKUUHKQXEWTUNY-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methylquinazolin-4-yl)methanone
CID 110702838
(2-phenylquinazolin-4-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 56941689
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
CID 46365024
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
(4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 66499434
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
(2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110648662
[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109362356

Frequently Asked Questions

What is the IUPAC name of (2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 110702833) is (2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1nc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1.
What is the InChIKey of (2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is NKUUHKQXEWTUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-21-18-10-6-5-9-17(18)19(22-15)20(25)24-13-11-23(12-14-24)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3.
What are the key properties of (2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 332.41 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110702833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).