N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide

C24H28N6O2 — CID 166280693

IUPACN-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide
SMILESCCN1CCN(C(=O)Cc2ccc(NC(=O)c3ccc4c(NC)ncnc4c3)cc2)CC1
InChIInChI=1S/C24H28N6O2/c1-3-29-10-12-30(13-11-29)22(31)14-17-4-7-19(8-5-17)28-24(32)18-6-9-20-21(15-18)26-16-27-23(20)25-2/h4-9,15-16H,3,10-14H2,1-2H3,(H,28,32)(H,25,26,27)
InChIKeyTVQYVAWPHFAAND-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.63
Rot. Bonds6

About N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide

N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide (PubChem CID 166280693) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide
PubChem CID166280693
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide
SMILESCCN1CCN(C(=O)Cc2ccc(NC(=O)c3ccc4c(NC)ncnc4c3)cc2)CC1
InChIInChI=1S/C24H28N6O2/c1-3-29-10-12-30(13-11-29)22(31)14-17-4-7-19(8-5-17)28-24(32)18-6-9-20-21(15-18)26-16-27-23(20)25-2/h4-9,15-16H,3,10-14H2,1-2H3,(H,28,32)(H,25,26,27)
InChIKeyTVQYVAWPHFAAND-UHFFFAOYSA-N
XLogP2.63
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-2-methyl-3-oxopropanoic acid
CID 138001729
N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide
CID 55647098
1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771210
2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110766836
4-[4-(aminomethyl)anilino]-N-(2-piperazin-1-ylethyl)quinazoline-7-carboxamide
CID 177371800
5-bromo-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]pyridine-3-carboxamide
CID 39229520
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046298
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 50842162
3-bromo-N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]benzamide
CID 42663751
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601
N-(4-bromo-2,6-dichloro-3-methoxy-5-methylphenyl)-4-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]thieno[3,2-d]pyrimidine-7-carboxamide
CID 89252809
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 42767021

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide?
The IUPAC name of N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide (CID 166280693) is N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide.
What is the SMILES notation for N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide?
The canonical SMILES for N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide is CCN1CCN(C(=O)Cc2ccc(NC(=O)c3ccc4c(NC)ncnc4c3)cc2)CC1.
What is the InChIKey of N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide?
The InChIKey is TVQYVAWPHFAAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-3-29-10-12-30(13-11-29)22(31)14-17-4-7-19(8-5-17)28-24(32)18-6-9-20-21(15-18)26-16-27-23(20)25-2/h4-9,15-16H,3,10-14H2,1-2H3,(H,28,32)(H,25,26,27).
What are the key properties of N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide?
N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-(methylamino)quinazoline-7-carboxamide is sourced from PubChem (CID 166280693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).