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

C19H15Cl3N4 — CID 171793965

IUPAC9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine
SMILESNCCn1c2ccc(Nc3ccc(Cl)c(Cl)c3)cc2c2cc(Cl)cnc21
InChIInChI=1S/C19H15Cl3N4/c20-11-7-15-14-8-12(25-13-1-3-16(21)17(22)9-13)2-4-18(14)26(6-5-23)19(15)24-10-11/h1-4,7-10,25H,5-6,23H2
InChIKeyFHASHPDCLPRZDO-UHFFFAOYSA-N
MW405.72 g/mol
LogP5.85
Rot. Bonds4

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

9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine (PubChem CID 171793965) has the molecular formula C19H15Cl3N4 and a molecular weight of 405.72 g/mol. Its IUPAC name is 9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine.

Molecular Properties

Compound Name9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine
PubChem CID171793965
Molecular FormulaC19H15Cl3N4
Molecular Weight405.72 g/mol
Exact Mass404.04
IUPAC Name9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine
SMILESNCCn1c2ccc(Nc3ccc(Cl)c(Cl)c3)cc2c2cc(Cl)cnc21
InChIInChI=1S/C19H15Cl3N4/c20-11-7-15-14-8-12(25-13-1-3-16(21)17(22)9-13)2-4-18(14)26(6-5-23)19(15)24-10-11/h1-4,7-10,25H,5-6,23H2
InChIKeyFHASHPDCLPRZDO-UHFFFAOYSA-N
XLogP5.85
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.72
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine?
The IUPAC name of 9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine (CID 171793965) is 9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine.
What is the SMILES notation for 9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine?
The canonical SMILES for 9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine is NCCn1c2ccc(Nc3ccc(Cl)c(Cl)c3)cc2c2cc(Cl)cnc21.
What is the InChIKey of 9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine?
The InChIKey is FHASHPDCLPRZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N4/c20-11-7-15-14-8-12(25-13-1-3-16(21)17(22)9-13)2-4-18(14)26(6-5-23)19(15)24-10-11/h1-4,7-10,25H,5-6,23H2.
What are the key properties of 9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine?
9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine has a molecular weight of 405.72 g/mol, XLogP of 5.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminoethyl)-3-chloro-N-(3,4-dichlorophenyl)pyrido[2,3-b]indol-6-amine is sourced from PubChem (CID 171793965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).