N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride

C18H22Cl2N6O — CID 119613817

IUPACN-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)NC(CN)C2CC2)nnn1-c1ccc2ncccc2c1.Cl.Cl
InChIInChI=1S/C18H20N6O.2ClH/c1-11-17(18(25)21-16(10-19)12-4-5-12)22-23-24(11)14-6-7-15-13(9-14)3-2-8-20-15;;/h2-3,6-9,12,16H,4-5,10,19H2,1H3,(H,21,25);2*1H
InChIKeyTVXRPSKEGODICV-UHFFFAOYSA-N
MW409.32 g/mol
LogP2.43
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119613817) has the molecular formula C18H22Cl2N6O and a molecular weight of 409.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119613817
Molecular FormulaC18H22Cl2N6O
Molecular Weight409.32 g/mol
Exact Mass408.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)NC(CN)C2CC2)nnn1-c1ccc2ncccc2c1.Cl.Cl
InChIInChI=1S/C18H20N6O.2ClH/c1-11-17(18(25)21-16(10-19)12-4-5-12)22-23-24(11)14-6-7-15-13(9-14)3-2-8-20-15;;/h2-3,6-9,12,16H,4-5,10,19H2,1H3,(H,21,25);2*1H
InChIKeyTVXRPSKEGODICV-UHFFFAOYSA-N
XLogP2.43
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride (CID 119613817) is N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride is Cc1c(C(=O)NC(CN)C2CC2)nnn1-c1ccc2ncccc2c1.Cl.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is TVXRPSKEGODICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O.2ClH/c1-11-17(18(25)21-16(10-19)12-4-5-12)22-23-24(11)14-6-7-15-13(9-14)3-2-8-20-15;;/h2-3,6-9,12,16H,4-5,10,19H2,1H3,(H,21,25);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 409.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119613817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).