N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide

C25H29N5O2 — CID 11224214

IUPACN-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C25H29N5O2/c1-17-6-7-18(24(31)27-19-4-3-5-19)14-23(17)30-16-26-22-9-8-20(15-21(22)25(30)32)29-12-10-28(2)11-13-29/h6-9,14-16,19H,3-5,10-13H2,1-2H3,(H,27,31)
InChIKeyHCPMOUXUWOUFKH-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.73
Rot. Bonds4

About N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide

N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide (PubChem CID 11224214) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide
PubChem CID11224214
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C25H29N5O2/c1-17-6-7-18(24(31)27-19-4-3-5-19)14-23(17)30-16-26-22-9-8-20(15-21(22)25(30)32)29-12-10-28(2)11-13-29/h6-9,14-16,19H,3-5,10-13H2,1-2H3,(H,27,31)
InChIKeyHCPMOUXUWOUFKH-UHFFFAOYSA-N
XLogP2.73
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide (CID 11224214) is N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide is Cc1ccc(C(=O)NC2CCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O.
What is the InChIKey of N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is HCPMOUXUWOUFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-6-7-18(24(31)27-19-4-3-5-19)14-23(17)30-16-26-22-9-8-20(15-21(22)25(30)32)29-12-10-28(2)11-13-29/h6-9,14-16,19H,3-5,10-13H2,1-2H3,(H,27,31).
What are the key properties of N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide?
N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 431.54 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 11224214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).