N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide

C20H16ClN5O2 — CID 33078369

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2c1
InChIInChI=1S/C20H16ClN5O2/c1-12-16(8-13-7-15(28-2)4-5-17(13)24-12)20(27)25-18-9-14(21)3-6-19(18)26-11-22-10-23-26/h3-11H,1-2H3,(H,25,27)
InChIKeyYLEBIWLAGJGAHB-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.04
Rot. Bonds4

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 33078369) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
PubChem CID33078369
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2c1
InChIInChI=1S/C20H16ClN5O2/c1-12-16(8-13-7-15(28-2)4-5-17(13)24-12)20(27)25-18-9-14(21)3-6-19(18)26-11-22-10-23-26/h3-11H,1-2H3,(H,25,27)
InChIKeyYLEBIWLAGJGAHB-UHFFFAOYSA-N
XLogP4.04
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 17404602
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylfuran-3-carboxamide
CID 78808953
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
CID 18090214
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761278
3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide
CID 31402196
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 35041428
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 55687015
N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 46485527
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-2-nitrobenzamide
CID 17427318
N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 46632736
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(difluoromethoxy)benzamide
CID 18084497

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide (CID 33078369) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2nc(C)c(C(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2c1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is YLEBIWLAGJGAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-12-16(8-13-7-15(28-2)4-5-17(13)24-12)20(27)25-18-9-14(21)3-6-19(18)26-11-22-10-23-26/h3-11H,1-2H3,(H,25,27).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 33078369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).