N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide

C24H27N5O2 — CID 70690020

IUPACN-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C24H27N5O2/c1-16-3-6-18(26-23(30)17-4-5-17)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3,6-8,13-15,17H,4-5,9-12H2,1-2H3,(H,26,30)
InChIKeyVDFIDAZBTUTWTF-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.79
Rot. Bonds4

About N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide

N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide (PubChem CID 70690020) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide
PubChem CID70690020
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O
InChIInChI=1S/C24H27N5O2/c1-16-3-6-18(26-23(30)17-4-5-17)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3,6-8,13-15,17H,4-5,9-12H2,1-2H3,(H,26,30)
InChIKeyVDFIDAZBTUTWTF-UHFFFAOYSA-N
XLogP2.79
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide (CID 70690020) is N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O.
What is the InChIKey of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is VDFIDAZBTUTWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-3-6-18(26-23(30)17-4-5-17)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3,6-8,13-15,17H,4-5,9-12H2,1-2H3,(H,26,30).
What are the key properties of N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide?
N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 70690020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).