4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide

C27H24N4O2 — CID 18859092

IUPAC4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(N3CCc4cc5ccc(C)cc5nc43)cc2)cc1
InChIInChI=1S/C27H24N4O2/c1-17-3-6-19(7-4-17)26(32)29-30-27(33)20-9-11-23(12-10-20)31-14-13-22-16-21-8-5-18(2)15-24(21)28-25(22)31/h3-12,15-16H,13-14H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyRDBNADWXTCBADF-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.62
Rot. Bonds3

About 4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide

4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide (PubChem CID 18859092) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide
PubChem CID18859092
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(N3CCc4cc5ccc(C)cc5nc43)cc2)cc1
InChIInChI=1S/C27H24N4O2/c1-17-3-6-19(7-4-17)26(32)29-30-27(33)20-9-11-23(12-10-20)31-14-13-22-16-21-8-5-18(2)15-24(21)28-25(22)31/h3-12,15-16H,13-14H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyRDBNADWXTCBADF-UHFFFAOYSA-N
XLogP4.62
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide?
The IUPAC name of 4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide (CID 18859092) is 4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide.
What is the SMILES notation for 4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide?
The canonical SMILES for 4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(N3CCc4cc5ccc(C)cc5nc43)cc2)cc1.
What is the InChIKey of 4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide?
The InChIKey is RDBNADWXTCBADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-17-3-6-19(7-4-17)26(32)29-30-27(33)20-9-11-23(12-10-20)31-14-13-22-16-21-8-5-18(2)15-24(21)28-25(22)31/h3-12,15-16H,13-14H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of 4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide?
4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide has a molecular weight of 436.52 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide is sourced from PubChem (CID 18859092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).