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

C19H19ClN4 — CID 70694712

IUPACN'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)propane-1,3-diamine
SMILESCn1c2ccccc2c2c(NCCCN)c3cc(Cl)ccc3nc21
InChIInChI=1S/C19H19ClN4/c1-24-16-6-3-2-5-13(16)17-18(22-10-4-9-21)14-11-12(20)7-8-15(14)23-19(17)24/h2-3,5-8,11H,4,9-10,21H2,1H3,(H,22,23)
InChIKeyNIQKHCSATHEBNF-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.29
Rot. Bonds4

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

N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)propane-1,3-diamine (PubChem CID 70694712) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)propane-1,3-diamine
PubChem CID70694712
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC NameN'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)propane-1,3-diamine
SMILESCn1c2ccccc2c2c(NCCCN)c3cc(Cl)ccc3nc21
InChIInChI=1S/C19H19ClN4/c1-24-16-6-3-2-5-13(16)17-18(22-10-4-9-21)14-11-12(20)7-8-15(14)23-19(17)24/h2-3,5-8,11H,4,9-10,21H2,1H3,(H,22,23)
InChIKeyNIQKHCSATHEBNF-UHFFFAOYSA-N
XLogP4.29
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.29
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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Related Compounds

Rabeximod
CID 56841552
Importazole
CID 2949965
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
Bms-279700
CID 9844320
1-[[4-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52945312
6-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 5328819
Spiro(3H-indole-3,4'-piperidine), 5-chloro-1,2-dihydro-1-(1H-pyrrolo(2,3-d)pyrimidin-4-yl)-
CID 11702853
2-(7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine
CID 12612431
3-[4-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}amino)butyl]guanidine
CID 22667956
N'-(11H-indolo(3,2-c)quinolin-6-yl)-N,N-dimethylethane-1,2-diamine
CID 24204050
N-(2-aminoethyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-amine
CID 25190632
1-[[3-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52944297

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)propane-1,3-diamine (CID 70694712) is N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)propane-1,3-diamine is Cn1c2ccccc2c2c(NCCCN)c3cc(Cl)ccc3nc21.
What is the InChIKey of N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)propane-1,3-diamine?
The InChIKey is NIQKHCSATHEBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-24-16-6-3-2-5-13(16)17-18(22-10-4-9-21)14-11-12(20)7-8-15(14)23-19(17)24/h2-3,5-8,11H,4,9-10,21H2,1H3,(H,22,23).
What are the key properties of N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)propane-1,3-diamine?
N'-(2-chloro-6-methylindolo[2,3-b]quinolin-11-yl)propane-1,3-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.29, 4 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)propane-1,3-diamine is sourced from PubChem (CID 70694712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).