N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine

C16H22ClN3 — CID 3796389

IUPACN-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1c(C)cnc2cc(Cl)ccc12
InChIInChI=1S/C16H22ClN3/c1-4-20(5-2)9-8-18-16-12(3)11-19-15-10-13(17)6-7-14(15)16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeySBBMENYDDCDCRR-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.95
Rot. Bonds6

About N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine

N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 3796389) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID3796389
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC NameN-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1c(C)cnc2cc(Cl)ccc12
InChIInChI=1S/C16H22ClN3/c1-4-20(5-2)9-8-18-16-12(3)11-19-15-10-13(17)6-7-14(15)16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeySBBMENYDDCDCRR-UHFFFAOYSA-N
XLogP3.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine (CID 3796389) is N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1c(C)cnc2cc(Cl)ccc12.
What is the InChIKey of N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is SBBMENYDDCDCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-4-20(5-2)9-8-18-16-12(3)11-19-15-10-13(17)6-7-14(15)16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine?
N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 291.83 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3-methylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 3796389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).