N-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine

C17H21ClN4 — CID 44523225

IUPACN-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc2[nH]c3ccc(Cl)cc3c12
InChIInChI=1S/C17H21ClN4/c1-3-22(4-2)10-9-19-15-7-8-20-17-16(15)13-11-12(18)5-6-14(13)21-17/h5-8,11H,3-4,9-10H2,1-2H3,(H2,19,20,21)
InChIKeySLVLLHBHLRTNSH-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.12
Rot. Bonds6

About N-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine

N-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 44523225) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID44523225
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC NameN-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccnc2[nH]c3ccc(Cl)cc3c12
InChIInChI=1S/C17H21ClN4/c1-3-22(4-2)10-9-19-15-7-8-20-17-16(15)13-11-12(18)5-6-14(13)21-17/h5-8,11H,3-4,9-10H2,1-2H3,(H2,19,20,21)
InChIKeySLVLLHBHLRTNSH-UHFFFAOYSA-N
XLogP4.12
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine (CID 44523225) is N-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1ccnc2[nH]c3ccc(Cl)cc3c12.
What is the InChIKey of N-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is SLVLLHBHLRTNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-3-22(4-2)10-9-19-15-7-8-20-17-16(15)13-11-12(18)5-6-14(13)21-17/h5-8,11H,3-4,9-10H2,1-2H3,(H2,19,20,21).
What are the key properties of N-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine?
N-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 316.84 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-9H-pyrido[2,3-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 44523225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).