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

C26H31N5O2 — CID 11236166

IUPACN-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C26H31N5O2/c1-18-7-8-19(25(32)28-20-5-3-4-6-20)15-24(18)31-17-27-23-10-9-21(16-22(23)26(31)33)30-13-11-29(2)12-14-30/h7-10,15-17,20H,3-6,11-14H2,1-2H3,(H,28,32)
InChIKeyOIGAZBWYYOZDQO-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.12
Rot. Bonds4

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

N-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide (PubChem CID 11236166) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide
PubChem CID11236166
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C26H31N5O2/c1-18-7-8-19(25(32)28-20-5-3-4-6-20)15-24(18)31-17-27-23-10-9-21(16-22(23)26(31)33)30-13-11-29(2)12-14-30/h7-10,15-17,20H,3-6,11-14H2,1-2H3,(H,28,32)
InChIKeyOIGAZBWYYOZDQO-UHFFFAOYSA-N
XLogP3.12
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of N-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide (CID 11236166) is N-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for N-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide is Cc1ccc(C(=O)NC2CCCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O.
What is the InChIKey of N-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is OIGAZBWYYOZDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-18-7-8-19(25(32)28-20-5-3-4-6-20)15-24(18)31-17-27-23-10-9-21(16-22(23)26(31)33)30-13-11-29(2)12-14-30/h7-10,15-17,20H,3-6,11-14H2,1-2H3,(H,28,32).
What are the key properties of N-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide?
N-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 445.57 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 11236166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).