1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide

C18H13FN4O — CID 141453848

IUPAC1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
SMILESNNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H13FN4O/c19-11-7-5-10(6-8-11)16-17-13(9-15(22-16)18(24)23-20)12-3-1-2-4-14(12)21-17/h1-9,21H,20H2,(H,23,24)
InChIKeyDJMKNZVRNBPPIX-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.13
Rot. Bonds2

About 1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide

1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide (PubChem CID 141453848) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
PubChem CID141453848
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
SMILESNNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H13FN4O/c19-11-7-5-10(6-8-11)16-17-13(9-15(22-16)18(24)23-20)12-3-1-2-4-14(12)21-17/h1-9,21H,20H2,(H,23,24)
InChIKeyDJMKNZVRNBPPIX-UHFFFAOYSA-N
XLogP3.13
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 153312546
1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172750422
[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine
CID 122185830
methyl 1-[4-[(4-fluorophenyl)methylamino]phenyl]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 169185947
1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172843390
2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6235795
N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 166760645
3-methylsulfanyl-2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6217181
N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone
CID 158330800
1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 57392198
methyl 1-(4-formylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 141454158
methyl 1-[4-(4-fluorophenyl)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 102528427

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide?
The IUPAC name of 1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide (CID 141453848) is 1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide.
What is the SMILES notation for 1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide?
The canonical SMILES for 1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide is NNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide?
The InChIKey is DJMKNZVRNBPPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-11-7-5-10(6-8-11)16-17-13(9-15(22-16)18(24)23-20)12-3-1-2-4-14(12)21-17/h1-9,21H,20H2,(H,23,24).
What are the key properties of 1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide?
1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide has a molecular weight of 320.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide is sourced from PubChem (CID 141453848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).