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

C21H23N5O2 — CID 154844621

IUPAC6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCC1CCc2[nH]c(=O)c(C(=O)Nc3cccc(-n4cnnc4C)c3)cc2C1
InChIInChI=1S/C21H23N5O2/c1-3-14-7-8-19-15(9-14)10-18(21(28)24-19)20(27)23-16-5-4-6-17(11-16)26-12-22-25-13(26)2/h4-6,10-12,14H,3,7-9H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyRWWOSSHBACDWDH-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.03
Rot. Bonds4

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

6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 154844621) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID154844621
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCC1CCc2[nH]c(=O)c(C(=O)Nc3cccc(-n4cnnc4C)c3)cc2C1
InChIInChI=1S/C21H23N5O2/c1-3-14-7-8-19-15(9-14)10-18(21(28)24-19)20(27)23-16-5-4-6-17(11-16)26-12-22-25-13(26)2/h4-6,10-12,14H,3,7-9H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyRWWOSSHBACDWDH-UHFFFAOYSA-N
XLogP3.03
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

1-benzyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 40308028
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxamide
CID 45883299
4-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 53522737
N-[2-oxo-2-[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide
CID 53192836
1-{3-[(4-Phenyl-4H-1,2,4-triazol-3-YL)methyl]piperidin-1-YL}propan-1-one
CID 110203892
N-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-5-[(cyclopropylmethylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948562
N-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-5-[(2-methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948570
N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-5-(prop-2-enoylamino)phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948577
N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2-oxo-5-(piperidin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948582
N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2-oxo-5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948583
N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 170948592
1-(2,2-difluoroethyl)-N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carboxamide
CID 170948614

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 154844621) is 6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCC1CCc2[nH]c(=O)c(C(=O)Nc3cccc(-n4cnnc4C)c3)cc2C1.
What is the InChIKey of 6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is RWWOSSHBACDWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-3-14-7-8-19-15(9-14)10-18(21(28)24-19)20(27)23-16-5-4-6-17(11-16)26-12-22-25-13(26)2/h4-6,10-12,14H,3,7-9H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 154844621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).