N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide

C23H26N6O3S — CID 70925072

IUPACN-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
SMILESCCc1cccc(Nc2ncnc3ccc(-n4ccn(CCN(C)S(C)(=O)=O)c4=O)cc23)c1
InChIInChI=1S/C23H26N6O3S/c1-4-17-6-5-7-18(14-17)26-22-20-15-19(8-9-21(20)24-16-25-22)29-13-12-28(23(29)30)11-10-27(2)33(3,31)32/h5-9,12-16H,4,10-11H2,1-3H3,(H,24,25,26)
InChIKeyAKYLAUJATKSWEP-UHFFFAOYSA-N
MW466.57 g/mol
LogP2.78
Rot. Bonds8

About N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide

N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide (PubChem CID 70925072) has the molecular formula C23H26N6O3S and a molecular weight of 466.57 g/mol. Its IUPAC name is N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
PubChem CID70925072
Molecular FormulaC23H26N6O3S
Molecular Weight466.57 g/mol
Exact Mass466.18
IUPAC NameN-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
SMILESCCc1cccc(Nc2ncnc3ccc(-n4ccn(CCN(C)S(C)(=O)=O)c4=O)cc23)c1
InChIInChI=1S/C23H26N6O3S/c1-4-17-6-5-7-18(14-17)26-22-20-15-19(8-9-21(20)24-16-25-22)29-13-12-28(23(29)30)11-10-27(2)33(3,31)32/h5-9,12-16H,4,10-11H2,1-3H3,(H,24,25,26)
InChIKeyAKYLAUJATKSWEP-UHFFFAOYSA-N
XLogP2.78
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[3-[4-(3-ethynylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
CID 44600445
1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one
CID 70925070
1-[2-[ethyl-[2-methyl-3-(methylamino)propyl]amino]ethyl]-3-[4-(3-ethynylanilino)quinazolin-6-yl]imidazol-2-one
CID 89105633
1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one
CID 143921722
1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one
CID 70925053
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride
CID 68570553
N-[4-(3-ethylanilino)quinazolin-6-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 143921719
N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
CID 119045563
1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(oxan-4-yl)imidazol-2-one
CID 46176511
5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071894

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide (CID 70925072) is N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide is CCc1cccc(Nc2ncnc3ccc(-n4ccn(CCN(C)S(C)(=O)=O)c4=O)cc23)c1.
What is the InChIKey of N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide?
The InChIKey is AKYLAUJATKSWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S/c1-4-17-6-5-7-18(14-17)26-22-20-15-19(8-9-21(20)24-16-25-22)29-13-12-28(23(29)30)11-10-27(2)33(3,31)32/h5-9,12-16H,4,10-11H2,1-3H3,(H,24,25,26).
What are the key properties of N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide?
N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide has a molecular weight of 466.57 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70925072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).