N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide

C21H20N4O3 — CID 21205834

IUPACN'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1)c1c2c(nc3ccccc13)CCCCC2
InChIInChI=1S/C21H20N4O3/c26-21(24-23-14-10-12-15(13-11-14)25(27)28)20-16-6-2-1-3-8-18(16)22-19-9-5-4-7-17(19)20/h4-5,7,9-13,23H,1-3,6,8H2,(H,24,26)
InChIKeyUGJLBKBZKOZQRK-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.17
Rot. Bonds4

About N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide

N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide (PubChem CID 21205834) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide.

Molecular Properties

Compound NameN'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide
PubChem CID21205834
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1)c1c2c(nc3ccccc13)CCCCC2
InChIInChI=1S/C21H20N4O3/c26-21(24-23-14-10-12-15(13-11-14)25(27)28)20-16-6-2-1-3-8-18(16)22-19-9-5-4-7-17(19)20/h4-5,7,9-13,23H,1-3,6,8H2,(H,24,26)
InChIKeyUGJLBKBZKOZQRK-UHFFFAOYSA-N
XLogP4.17
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873
[2-(4-nitroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7478232
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 6899931
N-cycloheptyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
CID 2451567
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 51180022
N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 9247855
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
[2-(3-nitrophenyl)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 19057242
methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
CID 9247815

Frequently Asked Questions

What is the IUPAC name of N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide?
The IUPAC name of N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide (CID 21205834) is N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide.
What is the SMILES notation for N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide?
The canonical SMILES for N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide is O=C(NNc1ccc([N+](=O)[O-])cc1)c1c2c(nc3ccccc13)CCCCC2.
What is the InChIKey of N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide?
The InChIKey is UGJLBKBZKOZQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-21(24-23-14-10-12-15(13-11-14)25(27)28)20-16-6-2-1-3-8-18(16)22-19-9-5-4-7-17(19)20/h4-5,7,9-13,23H,1-3,6,8H2,(H,24,26).
What are the key properties of N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide?
N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide has a molecular weight of 376.42 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide is sourced from PubChem (CID 21205834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).