N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide

C23H23N5O2 — CID 86943516

IUPACN-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(CCO)CCc2ccccc2)nnn1-c1cccc2ncccc12
InChIInChI=1S/C23H23N5O2/c1-17-22(23(30)27(15-16-29)14-12-18-7-3-2-4-8-18)25-26-28(17)21-11-5-10-20-19(21)9-6-13-24-20/h2-11,13,29H,12,14-16H2,1H3
InChIKeyLJBDNSXUCLURSK-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.80
Rot. Bonds7

About N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide

N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide (PubChem CID 86943516) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide
PubChem CID86943516
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(CCO)CCc2ccccc2)nnn1-c1cccc2ncccc12
InChIInChI=1S/C23H23N5O2/c1-17-22(23(30)27(15-16-29)14-12-18-7-3-2-4-8-18)25-26-28(17)21-11-5-10-20-19(21)9-6-13-24-20/h2-11,13,29H,12,14-16H2,1H3
InChIKeyLJBDNSXUCLURSK-UHFFFAOYSA-N
XLogP2.80
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)-propan-2-ylamino]acetate
CID 75437467
(3-hydroxyazetidin-1-yl)-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone
CID 71919997
1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530849
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide
CID 75462810
cis-(1S,3R)-3-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676308
N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide
CID 111122221
(2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 125120290
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119546412
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119541912
N-(2-hydroxyethyl)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 111122126
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
5-methyl-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-1-quinolin-5-yltriazole-4-carboxamide
CID 167875124

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide (CID 86943516) is N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide is Cc1c(C(=O)N(CCO)CCc2ccccc2)nnn1-c1cccc2ncccc12.
What is the InChIKey of N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide?
The InChIKey is LJBDNSXUCLURSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-17-22(23(30)27(15-16-29)14-12-18-7-3-2-4-8-18)25-26-28(17)21-11-5-10-20-19(21)9-6-13-24-20/h2-11,13,29H,12,14-16H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide?
N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-methyl-N-(2-phenylethyl)-1-quinolin-5-yltriazole-4-carboxamide is sourced from PubChem (CID 86943516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).