N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride

C20H18Cl2N4O — CID 153312546

IUPACN-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17ClN4O.ClH/c21-13-7-5-12(6-8-13)18-19-15(14-3-1-2-4-16(14)24-19)11-17(25-18)20(26)23-10-9-22;/h1-8,11,24H,9-10,22H2,(H,23,26);1H
InChIKeyMEKHDJCOYHRLPA-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.15
Rot. Bonds4

About N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride (PubChem CID 153312546) has the molecular formula C20H18Cl2N4O and a molecular weight of 401.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
PubChem CID153312546
Molecular FormulaC20H18Cl2N4O
Molecular Weight401.30 g/mol
Exact Mass400.09
IUPAC NameN-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17ClN4O.ClH/c21-13-7-5-12(6-8-13)18-19-15(14-3-1-2-4-16(14)24-19)11-17(25-18)20(26)23-10-9-22;/h1-8,11,24H,9-10,22H2,(H,23,26);1H
InChIKeyMEKHDJCOYHRLPA-UHFFFAOYSA-N
XLogP4.15
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride (CID 153312546) is N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride is Cl.NCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride?
The InChIKey is MEKHDJCOYHRLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O.ClH/c21-13-7-5-12(6-8-13)18-19-15(14-3-1-2-4-16(14)24-19)11-17(25-18)20(26)23-10-9-22;/h1-8,11,24H,9-10,22H2,(H,23,26);1H.
What are the key properties of N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride has a molecular weight of 401.30 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 153312546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).