2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid

C19H19N5O3 — CID 120521955

IUPAC2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
SMILESCc1c(C(=O)NC2(CC(=O)O)CCC2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C19H19N5O3/c1-12-16(18(27)21-19(8-4-9-19)11-15(25)26)22-23-24(12)14-7-2-5-13-6-3-10-20-17(13)14/h2-3,5-7,10H,4,8-9,11H2,1H3,(H,21,27)(H,25,26)
InChIKeyOZBDRFLCBCXCHX-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.25
Rot. Bonds5

About 2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 120521955) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID120521955
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
SMILESCc1c(C(=O)NC2(CC(=O)O)CCC2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C19H19N5O3/c1-12-16(18(27)21-19(8-4-9-19)11-15(25)26)22-23-24(12)14-7-2-5-13-6-3-10-20-17(13)14/h2-3,5-7,10H,4,8-9,11H2,1H3,(H,21,27)(H,25,26)
InChIKeyOZBDRFLCBCXCHX-UHFFFAOYSA-N
XLogP2.25
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid (CID 120521955) is 2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid is Cc1c(C(=O)NC2(CC(=O)O)CCC2)nnn1-c1cccc2cccnc12.
What is the InChIKey of 2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is OZBDRFLCBCXCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-12-16(18(27)21-19(8-4-9-19)11-15(25)26)22-23-24(12)14-7-2-5-13-6-3-10-20-17(13)14/h2-3,5-7,10H,4,8-9,11H2,1H3,(H,21,27)(H,25,26).
What are the key properties of 2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 365.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 120521955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).