N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide

C20H22FN3O2 — CID 89439881

IUPACN-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1cncc(-c2cc3c(cc2F)N(C)C(=O)CC3)c1
InChIInChI=1S/C20H22FN3O2/c1-4-19(25)23-12(2)14-7-15(11-22-10-14)16-8-13-5-6-20(26)24(3)18(13)9-17(16)21/h7-12H,4-6H2,1-3H3,(H,23,25)
InChIKeyBZZDCLMGHYTMDG-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.38
Rot. Bonds4

About N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide

N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide (PubChem CID 89439881) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide
PubChem CID89439881
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1cncc(-c2cc3c(cc2F)N(C)C(=O)CC3)c1
InChIInChI=1S/C20H22FN3O2/c1-4-19(25)23-12(2)14-7-15(11-22-10-14)16-8-13-5-6-20(26)24(3)18(13)9-17(16)21/h7-12H,4-6H2,1-3H3,(H,23,25)
InChIKeyBZZDCLMGHYTMDG-UHFFFAOYSA-N
XLogP3.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid
CID 142719540
7-fluoro-1-methyl-6-[5-[2-(methylamino)ethoxy]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 89439966
N-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 89448537
1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216610
N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide
CID 146229376
3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane
CID 159961795
N-[(8S)-4-(7-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537345
N-[4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6-dihydroisoquinolin-8-yl]propanamide
CID 71538745
6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride
CID 159930466
6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 89439862
N-[(7R,8R)-7-fluoro-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537926
N-[(7S,8R)-7-fluoro-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N-[(7R,8S)-7-fluoro-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 161127699

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide?
The IUPAC name of N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide (CID 89439881) is N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide.
What is the SMILES notation for N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide?
The canonical SMILES for N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide is CCC(=O)NC(C)c1cncc(-c2cc3c(cc2F)N(C)C(=O)CC3)c1.
What is the InChIKey of N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide?
The InChIKey is BZZDCLMGHYTMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-4-19(25)23-12(2)14-7-15(11-22-10-14)16-8-13-5-6-20(26)24(3)18(13)9-17(16)21/h7-12H,4-6H2,1-3H3,(H,23,25).
What are the key properties of N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide?
N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide has a molecular weight of 355.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide is sourced from PubChem (CID 89439881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).