N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine

C17H11Cl2N3 — CID 171793783

IUPACN-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine
SMILESClc1ccc(Nc2ccc3[nH]c4ncccc4c3c2)cc1Cl
InChIInChI=1S/C17H11Cl2N3/c18-14-5-3-11(9-15(14)19)21-10-4-6-16-13(8-10)12-2-1-7-20-17(12)22-16/h1-9,21H,(H,20,22)
InChIKeyHEZYTGQCEHILJJ-UHFFFAOYSA-N
MW328.20 g/mol
LogP5.77
Rot. Bonds2

About N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine

N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine (PubChem CID 171793783) has the molecular formula C17H11Cl2N3 and a molecular weight of 328.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine
PubChem CID171793783
Molecular FormulaC17H11Cl2N3
Molecular Weight328.20 g/mol
Exact Mass327.03
IUPAC NameN-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine
SMILESClc1ccc(Nc2ccc3[nH]c4ncccc4c3c2)cc1Cl
InChIInChI=1S/C17H11Cl2N3/c18-14-5-3-11(9-15(14)19)21-10-4-6-16-13(8-10)12-2-1-7-20-17(12)22-16/h1-9,21H,(H,20,22)
InChIKeyHEZYTGQCEHILJJ-UHFFFAOYSA-N
XLogP5.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.20
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-6-chloro-N-(3,4-dichlorophenyl)-9H-carbazol-3-amine
CID 171794110
6-(2-pyridin-2-ylphenyl)-9H-pyrido[2,3-b]indole
CID 163984381
2-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 69258073
1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 57456842
[2-(3,4-dichloroanilino)-3-pyridinyl]methanol
CID 14739451
9H-pyrido[2,3-b]indole;2H-triazole
CID 67361735
4-(9H-pyrido[2,3-b]indol-6-yl)pyrimidin-2-amine
CID 70911517
9H-pyrido[2,3-b]indol-7-ol
CID 67086557
1-(2-aminoethyl)-N-(3,4-dichlorophenyl)-6-methyl-9H-carbazol-3-amine
CID 174337362
2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 115004279
dibenzofuran;9H-pyrido[2,3-b]indole
CID 175499202
N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide
CID 11644941

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine (CID 171793783) is N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine is Clc1ccc(Nc2ccc3[nH]c4ncccc4c3c2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine?
The InChIKey is HEZYTGQCEHILJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3/c18-14-5-3-11(9-15(14)19)21-10-4-6-16-13(8-10)12-2-1-7-20-17(12)22-16/h1-9,21H,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine?
N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine has a molecular weight of 328.20 g/mol, XLogP of 5.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-9H-pyrido[2,3-b]indol-6-amine is sourced from PubChem (CID 171793783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).