N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine

C18H17ClN4 — CID 70696738

IUPACN'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine
SMILESCn1c2ccccc2c2c(NCCN)c3cc(Cl)ccc3nc21
InChIInChI=1S/C18H17ClN4/c1-23-15-5-3-2-4-12(15)16-17(21-9-8-20)13-10-11(19)6-7-14(13)22-18(16)23/h2-7,10H,8-9,20H2,1H3,(H,21,22)
InChIKeyLGNPSLURMDPACG-UHFFFAOYSA-N
MW324.82 g/mol
LogP3.90
Rot. Bonds3

About N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine

N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine (PubChem CID 70696738) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine
PubChem CID70696738
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC NameN'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine
SMILESCn1c2ccccc2c2c(NCCN)c3cc(Cl)ccc3nc21
InChIInChI=1S/C18H17ClN4/c1-23-15-5-3-2-4-12(15)16-17(21-9-8-20)13-10-11(19)6-7-14(13)22-18(16)23/h2-7,10H,8-9,20H2,1H3,(H,21,22)
InChIKeyLGNPSLURMDPACG-UHFFFAOYSA-N
XLogP3.90
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine (CID 70696738) is N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine is Cn1c2ccccc2c2c(NCCN)c3cc(Cl)ccc3nc21.
What is the InChIKey of N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine?
The InChIKey is LGNPSLURMDPACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c1-23-15-5-3-2-4-12(15)16-17(21-9-8-20)13-10-11(19)6-7-14(13)22-18(16)23/h2-7,10H,8-9,20H2,1H3,(H,21,22).
What are the key properties of N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine?
N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine has a molecular weight of 324.82 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)ethane-1,2-diamine is sourced from PubChem (CID 70696738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).