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

C23H27N5O2 — CID 15951509

IUPACN-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide
SMILESCCNC(=O)c1ccc(C)c(-n2cnc3ccc(N4CCN(C)CC4)cc3c2=O)c1
InChIInChI=1S/C23H27N5O2/c1-4-24-22(29)17-6-5-16(2)21(13-17)28-15-25-20-8-7-18(14-19(20)23(28)30)27-11-9-26(3)10-12-27/h5-8,13-15H,4,9-12H2,1-3H3,(H,24,29)
InChIKeyNIKKNJOVUYAOTG-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.20
Rot. Bonds4

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

N-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide (PubChem CID 15951509) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide
PubChem CID15951509
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide
SMILESCCNC(=O)c1ccc(C)c(-n2cnc3ccc(N4CCN(C)CC4)cc3c2=O)c1
InChIInChI=1S/C23H27N5O2/c1-4-24-22(29)17-6-5-16(2)21(13-17)28-15-25-20-8-7-18(14-19(20)23(28)30)27-11-9-26(3)10-12-27/h5-8,13-15H,4,9-12H2,1-3H3,(H,24,29)
InChIKeyNIKKNJOVUYAOTG-UHFFFAOYSA-N
XLogP2.20
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of N-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide (CID 15951509) is N-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for N-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for N-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide is CCNC(=O)c1ccc(C)c(-n2cnc3ccc(N4CCN(C)CC4)cc3c2=O)c1.
What is the InChIKey of N-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is NIKKNJOVUYAOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-4-24-22(29)17-6-5-16(2)21(13-17)28-15-25-20-8-7-18(14-19(20)23(28)30)27-11-9-26(3)10-12-27/h5-8,13-15H,4,9-12H2,1-3H3,(H,24,29).
What are the key properties of N-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide?
N-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 15951509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).