N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine

C19H19Cl2N3O — CID 18321969

IUPACN'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine
SMILESCc1ccc2cccc(OCc3c(Cl)ccc(NCCN)c3Cl)c2n1
InChIInChI=1S/C19H19Cl2N3O/c1-12-5-6-13-3-2-4-17(19(13)24-12)25-11-14-15(20)7-8-16(18(14)21)23-10-9-22/h2-8,23H,9-11,22H2,1H3
InChIKeyWMHNRNLYUNRFNF-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.80
Rot. Bonds6

About N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine

N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine (PubChem CID 18321969) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine
PubChem CID18321969
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC NameN'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine
SMILESCc1ccc2cccc(OCc3c(Cl)ccc(NCCN)c3Cl)c2n1
InChIInChI=1S/C19H19Cl2N3O/c1-12-5-6-13-3-2-4-17(19(13)24-12)25-11-14-15(20)7-8-16(18(14)21)23-10-9-22/h2-8,23H,9-11,22H2,1H3
InChIKeyWMHNRNLYUNRFNF-UHFFFAOYSA-N
XLogP4.80
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine?
The IUPAC name of N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine (CID 18321969) is N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine is Cc1ccc2cccc(OCc3c(Cl)ccc(NCCN)c3Cl)c2n1.
What is the InChIKey of N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine?
The InChIKey is WMHNRNLYUNRFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c1-12-5-6-13-3-2-4-17(19(13)24-12)25-11-14-15(20)7-8-16(18(14)21)23-10-9-22/h2-8,23H,9-11,22H2,1H3.
What are the key properties of N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine?
N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine has a molecular weight of 376.29 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]ethane-1,2-diamine is sourced from PubChem (CID 18321969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).