N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C18H25N5O2 — CID 50959389

IUPACN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC(C)CC(NC(=O)c1cc2c([nH]c1=O)CCCC2)c1ncnn1C
InChIInChI=1S/C18H25N5O2/c1-11(2)8-15(16-19-10-20-23(16)3)22-18(25)13-9-12-6-4-5-7-14(12)21-17(13)24/h9-11,15H,4-8H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyRUAAEFPFCBSDFB-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.90
Rot. Bonds5

About N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 50959389) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID50959389
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC(C)CC(NC(=O)c1cc2c([nH]c1=O)CCCC2)c1ncnn1C
InChIInChI=1S/C18H25N5O2/c1-11(2)8-15(16-19-10-20-23(16)3)22-18(25)13-9-12-6-4-5-7-14(12)21-17(13)24/h9-11,15H,4-8H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyRUAAEFPFCBSDFB-UHFFFAOYSA-N
XLogP1.90
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 50959389) is N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC(C)CC(NC(=O)c1cc2c([nH]c1=O)CCCC2)c1ncnn1C.
What is the InChIKey of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is RUAAEFPFCBSDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11(2)8-15(16-19-10-20-23(16)3)22-18(25)13-9-12-6-4-5-7-14(12)21-17(13)24/h9-11,15H,4-8H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 50959389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).