N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine

C14H19N3O — CID 45483572

IUPACN-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2c(NCCN(C)C)ccnc2c1
InChIInChI=1S/C14H19N3O/c1-17(2)9-8-16-13-6-7-15-14-10-11(18-3)4-5-12(13)14/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyKDNRCHSNXLRCAR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.22
Rot. Bonds5

About N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine

N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 45483572) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID45483572
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2c(NCCN(C)C)ccnc2c1
InChIInChI=1S/C14H19N3O/c1-17(2)9-8-16-13-6-7-15-14-10-11(18-3)4-5-12(13)14/h4-7,10H,8-9H2,1-3H3,(H,15,16)
InChIKeyKDNRCHSNXLRCAR-UHFFFAOYSA-N
XLogP2.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 45483572) is N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine is COc1ccc2c(NCCN(C)C)ccnc2c1.
What is the InChIKey of N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is KDNRCHSNXLRCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17(2)9-8-16-13-6-7-15-14-10-11(18-3)4-5-12(13)14/h4-7,10H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 245.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 45483572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).