N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide

C18H18FN5O2 — CID 91796045

IUPACN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
SMILESCCn1ncnc1C(NC(=O)c1cc(=O)[nH]c2ccc(F)cc12)C1CC1
InChIInChI=1S/C18H18FN5O2/c1-2-24-17(20-9-21-24)16(10-3-4-10)23-18(26)13-8-15(25)22-14-6-5-11(19)7-12(13)14/h5-10,16H,2-4H2,1H3,(H,22,25)(H,23,26)
InChIKeyADVODLGMPHJLLR-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.16
Rot. Bonds5

About N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide

N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 91796045) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
PubChem CID91796045
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
SMILESCCn1ncnc1C(NC(=O)c1cc(=O)[nH]c2ccc(F)cc12)C1CC1
InChIInChI=1S/C18H18FN5O2/c1-2-24-17(20-9-21-24)16(10-3-4-10)23-18(26)13-8-15(25)22-14-6-5-11(19)7-12(13)14/h5-10,16H,2-4H2,1H3,(H,22,25)(H,23,26)
InChIKeyADVODLGMPHJLLR-UHFFFAOYSA-N
XLogP2.16
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

7-fluoro-1-methyl-2-oxo-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-4,5-dihydro-3H-1-benzazepine-8-carboxamide
CID 156093965
7-fluoro-2-oxo-N-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-1,3,4,5-tetrahydro-1-benzazepine-8-carboxamide
CID 156108389
(S)-2-(1-((6-amino-5-(1-methyl-1H-1,2,4-triazol-3-yl)pyrimidin-4-yl)amino)propyl)-3-cyclopropyl-5-fluoroquinazolin-4(3H)-one
CID 117965781
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 53528594
7-Fluoro-12-(4-fluorophenyl)-13-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.4.1.05,14]tetradeca-1,5(14),6,8-tetraen-4-one
CID 136265073
N'-(2-fluoro-5-methylphenyl)-N-methyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]succinamide
CID 46993152
4-(4-oxoquinazolin-3(4H)-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 50949969
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methyl-3-(4-oxo-3(4H)-quinazolinyl)propanamide
CID 70721495
3-(2,2-dimethylpropylamino)-N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 71854561
3-(2,2-dimethylpropylamino)-2-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 71854562
N-tert-butyl-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 72103967
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CID 72103975

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide (CID 91796045) is N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide is CCn1ncnc1C(NC(=O)c1cc(=O)[nH]c2ccc(F)cc12)C1CC1.
What is the InChIKey of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is ADVODLGMPHJLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-2-24-17(20-9-21-24)16(10-3-4-10)23-18(26)13-8-15(25)22-14-6-5-11(19)7-12(13)14/h5-10,16H,2-4H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide?
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 91796045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).