(NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine

C22H24FN3O — CID 11046753

IUPAC(NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine
SMILESCn1c2c(c3ccccc31)CN(CCC/C(=N\O)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H24FN3O/c1-25-21-7-3-2-5-18(21)19-15-26(14-12-22(19)25)13-4-6-20(24-27)16-8-10-17(23)11-9-16/h2-3,5,7-11,27H,4,6,12-15H2,1H3/b24-20+
InChIKeyLHXAVNNSLIYWNP-HIXSDJFHSA-N
MW365.45 g/mol
LogP4.33
Rot. Bonds5

About (NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine

(NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine (PubChem CID 11046753) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is (NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine
PubChem CID11046753
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name(NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine
SMILESCn1c2c(c3ccccc31)CN(CCC/C(=N\O)c1ccc(F)cc1)CC2
InChIInChI=1S/C22H24FN3O/c1-25-21-7-3-2-5-18(21)19-15-26(14-12-22(19)25)13-4-6-20(24-27)16-8-10-17(23)11-9-16/h2-3,5,7-11,27H,4,6,12-15H2,1H3/b24-20+
InChIKeyLHXAVNNSLIYWNP-HIXSDJFHSA-N
XLogP4.33
TPSA40.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 197033
Iprindole
CID 21722
Rimcazole
CID 53389
OC-000459
CID 11462174
3-Amino-9-ethylcarbazole
CID 8588
Mebhydrolin
CID 22530
Avn-101
CID 42631003
Nerispirdine
CID 3081185
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
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1,1'-Diethyl-2,2'-cyanine iodide
CID 5484462

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine (CID 11046753) is (NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine is Cn1c2c(c3ccccc31)CN(CCC/C(=N\O)c1ccc(F)cc1)CC2.
What is the InChIKey of (NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine?
The InChIKey is LHXAVNNSLIYWNP-HIXSDJFHSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-25-21-7-3-2-5-18(21)19-15-26(14-12-22(19)25)13-4-6-20(24-27)16-8-10-17(23)11-9-16/h2-3,5,7-11,27H,4,6,12-15H2,1H3/b24-20+.
What are the key properties of (NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine?
(NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine has a molecular weight of 365.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-fluorophenyl)-4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butylidene]hydroxylamine is sourced from PubChem (CID 11046753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).