N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine

C17H23ClN4O — CID 91938185

IUPACN-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(N2CCOCC2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H23ClN4O/c1-21(2)6-5-19-16-12-17(22-7-9-23-10-8-22)20-15-4-3-13(18)11-14(15)16/h3-4,11-12H,5-10H2,1-2H3,(H,19,20)
InChIKeyTYBQXBZQAWOBII-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.70
Rot. Bonds5

About N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine

N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 91938185) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID91938185
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC NameN-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(N2CCOCC2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H23ClN4O/c1-21(2)6-5-19-16-12-17(22-7-9-23-10-8-22)20-15-4-3-13(18)11-14(15)16/h3-4,11-12H,5-10H2,1-2H3,(H,19,20)
InChIKeyTYBQXBZQAWOBII-UHFFFAOYSA-N
XLogP2.70
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 91938185) is N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(N2CCOCC2)nc2ccc(Cl)cc12.
What is the InChIKey of N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is TYBQXBZQAWOBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-21(2)6-5-19-16-12-17(22-7-9-23-10-8-22)20-15-4-3-13(18)11-14(15)16/h3-4,11-12H,5-10H2,1-2H3,(H,19,20).
What are the key properties of N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 334.85 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 91938185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).