N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine

C18H23N5 — CID 133306714

IUPACN,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine
SMILESCc1cc(NCC(c2cnn(C)c2)N(C)C)c2ccccc2n1
InChIInChI=1S/C18H23N5/c1-13-9-17(15-7-5-6-8-16(15)21-13)19-11-18(22(2)3)14-10-20-23(4)12-14/h5-10,12,18H,11H2,1-4H3,(H,19,21)
InChIKeyQIWUJHDGDPOGLK-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.99
Rot. Bonds5

About N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine

N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine (PubChem CID 133306714) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine
PubChem CID133306714
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine
SMILESCc1cc(NCC(c2cnn(C)c2)N(C)C)c2ccccc2n1
InChIInChI=1S/C18H23N5/c1-13-9-17(15-7-5-6-8-16(15)21-13)19-11-18(22(2)3)14-10-20-23(4)12-14/h5-10,12,18H,11H2,1-4H3,(H,19,21)
InChIKeyQIWUJHDGDPOGLK-UHFFFAOYSA-N
XLogP2.99
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine (CID 133306714) is N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine is Cc1cc(NCC(c2cnn(C)c2)N(C)C)c2ccccc2n1.
What is the InChIKey of N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is QIWUJHDGDPOGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-13-9-17(15-7-5-6-8-16(15)21-13)19-11-18(22(2)3)14-10-20-23(4)12-14/h5-10,12,18H,11H2,1-4H3,(H,19,21).
What are the key properties of N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine?
N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 309.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 133306714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).