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

C22H21FN4O3 — CID 89448537

IUPACN-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1cncc(-c2cc3c(cc2F)N(C)C(=O)CC3)c1
InChIInChI=1S/C22H21FN4O3/c1-12-21(13(2)30-26-12)22(29)25-10-14-6-16(11-24-9-14)17-7-15-4-5-20(28)27(3)19(15)8-18(17)23/h6-9,11H,4-5,10H2,1-3H3,(H,25,29)
InChIKeyOYTJWKZMQXQVQT-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.33
Rot. Bonds4

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

N-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 89448537) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID89448537
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC NameN-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1cncc(-c2cc3c(cc2F)N(C)C(=O)CC3)c1
InChIInChI=1S/C22H21FN4O3/c1-12-21(13(2)30-26-12)22(29)25-10-14-6-16(11-24-9-14)17-7-15-4-5-20(28)27(3)19(15)8-18(17)23/h6-9,11H,4-5,10H2,1-3H3,(H,25,29)
InChIKeyOYTJWKZMQXQVQT-UHFFFAOYSA-N
XLogP3.33
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

3,5-dimethyl-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
CID 71533637
2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid
CID 142719540
N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide
CID 89439881
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
7-fluoro-1-methyl-6-[5-[2-(methylamino)ethoxy]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 89439966
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 119103341
(2E)-2-(methylidenehydrazinylidene)-N-[[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]but-3-enamide
CID 144552622
1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide
CID 52986188
N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide
CID 146229376
2,6-difluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022339

Frequently Asked Questions

What is the IUPAC name of N-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 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) is N-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1cncc(-c2cc3c(cc2F)N(C)C(=O)CC3)c1.
What is the InChIKey of N-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is OYTJWKZMQXQVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-12-21(13(2)30-26-12)22(29)25-10-14-6-16(11-24-9-14)17-7-15-4-5-20(28)27(3)19(15)8-18(17)23/h6-9,11H,4-5,10H2,1-3H3,(H,25,29).
What are the key properties of N-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 89448537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).