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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).