N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C24H27ClN6O — CID 154238951

IUPACN-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cnc2ccc(Cl)cc12
InChIInChI=1S/C24H27ClN6O/c1-30(2)8-7-26-23-18-13-16(25)3-5-20(18)27-15-19(23)24-28-21-6-4-17(14-22(21)29-24)31-9-11-32-12-10-31/h3-6,13-15H,7-12H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyJACKGDZLOOIROT-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.24
Rot. Bonds6

About N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 154238951) has the molecular formula C24H27ClN6O and a molecular weight of 450.97 g/mol. Its IUPAC name is N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID154238951
Molecular FormulaC24H27ClN6O
Molecular Weight450.97 g/mol
Exact Mass450.19
IUPAC NameN-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cnc2ccc(Cl)cc12
InChIInChI=1S/C24H27ClN6O/c1-30(2)8-7-26-23-18-13-16(25)3-5-20(18)27-15-19(23)24-28-21-6-4-17(14-22(21)29-24)31-9-11-32-12-10-31/h3-6,13-15H,7-12H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyJACKGDZLOOIROT-UHFFFAOYSA-N
XLogP4.24
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-amine
CID 174489954
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 141079632
1-chloro-4-[2-(dimethylamino)ethylamino]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
CID 172732879
N-(6-chloro-2-morpholin-4-ylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 91938185
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(2-pyridin-4-ylethylamino)-1H-quinolin-2-one
CID 139985105
1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
CID 162189422
6-chloro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-pyrrolidin-3-ylquinoline
CID 174439850
N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine
CID 141053448
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-4-[3-(2-oxopyrrolidin-1-yl)propylamino]-1H-quinolin-2-one
CID 136599664
6-chloro-3-(6-chloro-1H-benzimidazol-2-yl)-N-pyrrolidin-3-ylquinolin-4-amine
CID 141086284
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 71543431
N'-[3-(1H-benzimidazol-2-yl)-7-chloroquinolin-4-yl]-N-methylethane-1,2-diamine
CID 141086325

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 154238951) is N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1c(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cnc2ccc(Cl)cc12.
What is the InChIKey of N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is JACKGDZLOOIROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O/c1-30(2)8-7-26-23-18-13-16(25)3-5-20(18)27-15-19(23)24-28-21-6-4-17(14-22(21)29-24)31-9-11-32-12-10-31/h3-6,13-15H,7-12H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 450.97 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 154238951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).