N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine

C20H21ClN4 — CID 70696763

IUPACN'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine
SMILESCn1c2ccccc2c2c(NCCCCN)c3cc(Cl)ccc3nc21
InChIInChI=1S/C20H21ClN4/c1-25-17-7-3-2-6-14(17)18-19(23-11-5-4-10-22)15-12-13(21)8-9-16(15)24-20(18)25/h2-3,6-9,12H,4-5,10-11,22H2,1H3,(H,23,24)
InChIKeyAUUOHHGKFRILPH-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.68
Rot. Bonds5

About N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine

N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine (PubChem CID 70696763) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine
PubChem CID70696763
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC NameN'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine
SMILESCn1c2ccccc2c2c(NCCCCN)c3cc(Cl)ccc3nc21
InChIInChI=1S/C20H21ClN4/c1-25-17-7-3-2-6-14(17)18-19(23-11-5-4-10-22)15-12-13(21)8-9-16(15)24-20(18)25/h2-3,6-9,12H,4-5,10-11,22H2,1H3,(H,23,24)
InChIKeyAUUOHHGKFRILPH-UHFFFAOYSA-N
XLogP4.68
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine?
The IUPAC name of N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine (CID 70696763) is N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine?
The canonical SMILES for N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine is Cn1c2ccccc2c2c(NCCCCN)c3cc(Cl)ccc3nc21.
What is the InChIKey of N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine?
The InChIKey is AUUOHHGKFRILPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-25-17-7-3-2-6-14(17)18-19(23-11-5-4-10-22)15-12-13(21)8-9-16(15)24-20(18)25/h2-3,6-9,12H,4-5,10-11,22H2,1H3,(H,23,24).
What are the key properties of N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine?
N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)butane-1,4-diamine has a molecular weight of 352.87 g/mol, XLogP of 4.68, 5 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)butane-1,4-diamine is sourced from PubChem (CID 70696763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).