6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one

C28H20ClN5O — CID 91575511

IUPAC6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESCn1ccnc1-c1ccc(/N=C(\c2ccc3ncccc3c2)C2C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C28H20ClN5O/c1-34-14-13-31-27(34)17-4-8-21(9-5-17)32-26(19-6-11-23-18(15-19)3-2-12-30-23)25-22-10-7-20(29)16-24(22)33-28(25)35/h2-16,25H,1H3,(H,33,35)/b32-26+
InChIKeyBRJZQVARKLKHSS-HMZBKAONSA-N
MW477.96 g/mol
LogP6.15
Rot. Bonds4

About 6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one

6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one (PubChem CID 91575511) has the molecular formula C28H20ClN5O and a molecular weight of 477.96 g/mol. Its IUPAC name is 6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one
PubChem CID91575511
Molecular FormulaC28H20ClN5O
Molecular Weight477.96 g/mol
Exact Mass477.14
IUPAC Name6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one
SMILESCn1ccnc1-c1ccc(/N=C(\c2ccc3ncccc3c2)C2C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C28H20ClN5O/c1-34-14-13-31-27(34)17-4-8-21(9-5-17)32-26(19-6-11-23-18(15-19)3-2-12-30-23)25-22-10-7-20(29)16-24(22)33-28(25)35/h2-16,25H,1H3,(H,33,35)/b32-26+
InChIKeyBRJZQVARKLKHSS-HMZBKAONSA-N
XLogP6.15
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.96
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[C-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(1-methylimidazol-2-yl)phenyl]carbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 90917621
6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 90849989
6-chloro-3-[N-[4-(ethylaminomethyl)phenyl]-C-quinoxalin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 91512074
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide
CID 90707297
3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-[4-(2-pyrrolidin-1-ylethyl)phenyl]carbonimidoyl]-5-nitro-1,3-dihydroindol-2-one
CID 57059222
6-chloro-3-[C-(4-chlorophenyl)-N-[4-[(dimethylamino)methyl]phenyl]carbonimidoyl]-1,3-dihydroindol-2-one
CID 90689200
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-methyl-2-(4-propylpiperazin-1-yl)acetamide
CID 90920764
2-[4-(2-aminoethyl)piperazin-1-yl]-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-methylacetamide
CID 91187464
6-chloro-3-[N-[4-[[di(propan-2-yl)amino]methyl]phenyl]-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 90691181
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 90933134
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-(3,4-diaminophenyl)methylidene]amino]phenyl]-2-(dimethylamino)-N-methylacetamide
CID 91428906
3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-N,N-dimethyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 57206579

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one (CID 91575511) is 6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one is Cn1ccnc1-c1ccc(/N=C(\c2ccc3ncccc3c2)C2C(=O)Nc3cc(Cl)ccc32)cc1.
What is the InChIKey of 6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one?
The InChIKey is BRJZQVARKLKHSS-HMZBKAONSA-N. The full InChI is InChI=1S/C28H20ClN5O/c1-34-14-13-31-27(34)17-4-8-21(9-5-17)32-26(19-6-11-23-18(15-19)3-2-12-30-23)25-22-10-7-20(29)16-24(22)33-28(25)35/h2-16,25H,1H3,(H,33,35)/b32-26+.
What are the key properties of 6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one?
6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one has a molecular weight of 477.96 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[N-[4-(1-methylimidazol-2-yl)phenyl]-C-quinolin-6-ylcarbonimidoyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91575511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).