5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide

C26H18ClN3O4 — CID 10719211

IUPAC5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide
SMILESCc1ccc2oc(=O)c(C(=O)NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)cc2c1
InChIInChI=1S/C26H18ClN3O4/c1-14-7-10-21-16(11-14)12-19(26(33)34-21)24(31)29-30-25(32)23-22(15-5-3-2-4-6-15)18-13-17(27)8-9-20(18)28-23/h2-13,28H,1H3,(H,29,31)(H,30,32)
InChIKeyFABUXEFBRQVXFT-UHFFFAOYSA-N
MW471.90 g/mol
LogP4.98
Rot. Bonds3

About 5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide

5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide (PubChem CID 10719211) has the molecular formula C26H18ClN3O4 and a molecular weight of 471.90 g/mol. Its IUPAC name is 5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide
PubChem CID10719211
Molecular FormulaC26H18ClN3O4
Molecular Weight471.90 g/mol
Exact Mass471.10
IUPAC Name5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide
SMILESCc1ccc2oc(=O)c(C(=O)NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)cc2c1
InChIInChI=1S/C26H18ClN3O4/c1-14-7-10-21-16(11-14)12-19(26(33)34-21)24(31)29-30-25(32)23-22(15-5-3-2-4-6-15)18-13-17(27)8-9-20(18)28-23/h2-13,28H,1H3,(H,29,31)(H,30,32)
InChIKeyFABUXEFBRQVXFT-UHFFFAOYSA-N
XLogP4.98
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.90
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N'-[(2-hydroxy-5-methylphenyl)methyl]-3-phenyl-1H-indole-2-carbohydrazide
CID 10644998
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide
CID 91094574
5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide
CID 70764541
6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 792586
N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794377
5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide
CID 131932809
N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide
CID 21239589
3-[3-(4-chlorophenyl)-5-methyl-1H-indol-2-yl]-4-hydroxychromen-2-one
CID 122394241
[2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126402435
6-bromo-N'-(2-chlorobenzoyl)-2-oxochromene-3-carbohydrazide
CID 19133244
N-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetamide
CID 44561346

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide (CID 10719211) is 5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide is Cc1ccc2oc(=O)c(C(=O)NNC(=O)c3[nH]c4ccc(Cl)cc4c3-c3ccccc3)cc2c1.
What is the InChIKey of 5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide?
The InChIKey is FABUXEFBRQVXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O4/c1-14-7-10-21-16(11-14)12-19(26(33)34-21)24(31)29-30-25(32)23-22(15-5-3-2-4-6-15)18-13-17(27)8-9-20(18)28-23/h2-13,28H,1H3,(H,29,31)(H,30,32).
What are the key properties of 5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide?
5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide has a molecular weight of 471.90 g/mol, XLogP of 4.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(6-methyl-2-oxochromene-3-carbonyl)-3-phenyl-1H-indole-2-carbohydrazide is sourced from PubChem (CID 10719211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).