N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide

C17H20FN5O2 — CID 50969841

IUPACN-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide
SMILESCCn1ncnc1C1CC(=O)Nc2cc(NC(=O)C(C)C)c(F)cc21
InChIInChI=1S/C17H20FN5O2/c1-4-23-16(19-8-20-23)11-6-15(24)21-13-7-14(12(18)5-10(11)13)22-17(25)9(2)3/h5,7-9,11H,4,6H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyDPGFDRCXFSHTJM-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.51
Rot. Bonds4

About N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide

N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide (PubChem CID 50969841) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide
PubChem CID50969841
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide
SMILESCCn1ncnc1C1CC(=O)Nc2cc(NC(=O)C(C)C)c(F)cc21
InChIInChI=1S/C17H20FN5O2/c1-4-23-16(19-8-20-23)11-6-15(24)21-13-7-14(12(18)5-10(11)13)22-17(25)9(2)3/h5,7-9,11H,4,6H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyDPGFDRCXFSHTJM-UHFFFAOYSA-N
XLogP2.51
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide
CID 50982799
(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136737606
(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737610
N-(5-fluoro-2-oxo-1,3-dihydroindol-6-yl)-2-hydroxypropanamide
CID 66607967
(2S)-2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylpentanamide
CID 61172664
4-(1-ethyl-5-methylpyrazol-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632796
2-methoxy-N-[6-methoxy-4-(1-methylpyrazol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 169420804
N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169410752
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;hydrochloride
CID 119293008
(8S)-8-(2-ethyl-1,2,4-triazol-3-yl)-2-morpholin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-6-one
CID 95135454
N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169416972
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-3-methylbutanamide
CID 39283738

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide (CID 50969841) is N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide is CCn1ncnc1C1CC(=O)Nc2cc(NC(=O)C(C)C)c(F)cc21.
What is the InChIKey of N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide?
The InChIKey is DPGFDRCXFSHTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-4-23-16(19-8-20-23)11-6-15(24)21-13-7-14(12(18)5-10(11)13)22-17(25)9(2)3/h5,7-9,11H,4,6H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide?
N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide has a molecular weight of 345.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide is sourced from PubChem (CID 50969841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).