N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide

C24H23N5O — CID 166190848

IUPACN-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)NCCc3nnc4n3CCC4)c2c1
InChIInChI=1S/C24H23N5O/c1-16-9-10-20-18(14-16)19(15-21(26-20)17-6-3-2-4-7-17)24(30)25-12-11-23-28-27-22-8-5-13-29(22)23/h2-4,6-7,9-10,14-15H,5,8,11-13H2,1H3,(H,25,30)
InChIKeyPBEHYXUVHHTPIF-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.72
Rot. Bonds5

About N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide

N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 166190848) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide
PubChem CID166190848
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)NCCc3nnc4n3CCC4)c2c1
InChIInChI=1S/C24H23N5O/c1-16-9-10-20-18(14-16)19(15-21(26-20)17-6-3-2-4-7-17)24(30)25-12-11-23-28-27-22-8-5-13-29(22)23/h2-4,6-7,9-10,14-15H,5,8,11-13H2,1H3,(H,25,30)
InChIKeyPBEHYXUVHHTPIF-UHFFFAOYSA-N
XLogP3.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 71896191
2-chloro-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 51307423
N-ethoxy-6-methyl-2-phenylquinoline-4-carboxamide
CID 31098936
3-fluoro-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 51307453
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
2-(4-acetamidophenyl)-6-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 46375393
2-(4-acetamidophenyl)-6-methyl-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 92879171
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 3397561
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide
CID 17271835
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
CID 46375387

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide (CID 166190848) is N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCCc3nnc4n3CCC4)c2c1.
What is the InChIKey of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is PBEHYXUVHHTPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-16-9-10-20-18(14-16)19(15-21(26-20)17-6-3-2-4-7-17)24(30)25-12-11-23-28-27-22-8-5-13-29(22)23/h2-4,6-7,9-10,14-15H,5,8,11-13H2,1H3,(H,25,30).
What are the key properties of N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide?
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 166190848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).