1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one

C24H21N7O — CID 143921722

IUPAC1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one
SMILESC=Cc1cccc(Nc2ncnc3ccc(-n4ccn(CCn5ccnc5)c4=O)cc23)c1
InChIInChI=1S/C24H21N7O/c1-2-18-4-3-5-19(14-18)28-23-21-15-20(6-7-22(21)26-16-27-23)31-13-12-30(24(31)32)11-10-29-9-8-25-17-29/h2-9,12-17H,1,10-11H2,(H,26,27,28)
InChIKeyJYERPKAKHAWOKA-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.87
Rot. Bonds7

About 1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one

1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one (PubChem CID 143921722) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one.

Molecular Properties

Compound Name1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one
PubChem CID143921722
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one
SMILESC=Cc1cccc(Nc2ncnc3ccc(-n4ccn(CCn5ccnc5)c4=O)cc23)c1
InChIInChI=1S/C24H21N7O/c1-2-18-4-3-5-19(14-18)28-23-21-15-20(6-7-22(21)26-16-27-23)31-13-12-30(24(31)32)11-10-29-9-8-25-17-29/h2-9,12-17H,1,10-11H2,(H,26,27,28)
InChIKeyJYERPKAKHAWOKA-UHFFFAOYSA-N
XLogP3.87
TPSA82.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one
CID 70925070
N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
CID 70925072
N-[2-[3-[4-(3-ethynylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
CID 44600445
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-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one
CID 70925053
2-imidazol-1-ylethyl (E)-5-[[4-(3-bromoanilino)quinazolin-6-yl]amino]-5-oxopent-3-enoate
CID 57478985
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328368
1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(oxan-4-yl)imidazol-2-one
CID 46176511
N-[4-(3-ethenylanilino)quinazolin-6-yl]-2-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)acetamide
CID 91299879
N-(3-ethynylphenyl)-7-(2-imidazol-1-ylethoxy)-6-(2-methoxyethoxy)quinazolin-4-amine
CID 18925101
4-N-(3-ethenylphenyl)-7-methoxyquinazoline-4,6-diamine
CID 127255387

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one?
The IUPAC name of 1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one (CID 143921722) is 1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one.
What is the SMILES notation for 1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one?
The canonical SMILES for 1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one is C=Cc1cccc(Nc2ncnc3ccc(-n4ccn(CCn5ccnc5)c4=O)cc23)c1.
What is the InChIKey of 1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one?
The InChIKey is JYERPKAKHAWOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-2-18-4-3-5-19(14-18)28-23-21-15-20(6-7-22(21)26-16-27-23)31-13-12-30(24(31)32)11-10-29-9-8-25-17-29/h2-9,12-17H,1,10-11H2,(H,26,27,28).
What are the key properties of 1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one?
1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one has a molecular weight of 423.48 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one is sourced from PubChem (CID 143921722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).