7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C20H20FN5O2 — CID 71847322

IUPAC7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(C)C(NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1nnc2ccccn12
InChIInChI=1S/C20H20FN5O2/c1-11(2)18(19-25-24-16-5-3-4-8-26(16)19)23-20(28)13-9-12-6-7-17(27)22-15(12)10-14(13)21/h3-5,8-11,18H,6-7H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyDTVCDUCQXMKWCP-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.88
Rot. Bonds4

About 7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 71847322) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID71847322
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCC(C)C(NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1nnc2ccccn12
InChIInChI=1S/C20H20FN5O2/c1-11(2)18(19-25-24-16-5-3-4-8-26(16)19)23-20(28)13-9-12-6-7-17(27)22-15(12)10-14(13)21/h3-5,8-11,18H,6-7H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyDTVCDUCQXMKWCP-UHFFFAOYSA-N
XLogP2.88
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 97331257
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 120534807
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 42536093
1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 95154279
2-(2-methoxyethoxy)-N-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 52860674
2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide
CID 71869921
(E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide
CID 23474073
3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 23474062
1-(4-bromo-2-fluorophenyl)-3-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 95154280
4,7-dimethoxy-1-methyl-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-2-carboxamide
CID 29130881
8-fluoro-4-oxo-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
CID 124896589
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide
CID 29140560

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 71847322) is 7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CC(C)C(NC(=O)c1cc2c(cc1F)NC(=O)CC2)c1nnc2ccccn12.
What is the InChIKey of 7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is DTVCDUCQXMKWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-11(2)18(19-25-24-16-5-3-4-8-26(16)19)23-20(28)13-9-12-6-7-17(27)22-15(12)10-14(13)21/h3-5,8-11,18H,6-7H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of 7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 71847322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).