N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C22H25FN4O2 — CID 131923088

IUPACN-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(N2CCC(CNC(=O)c3oc(C)nc3C)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C22H25FN4O2/c1-13-10-20(18-11-17(23)4-5-19(18)25-13)27-8-6-16(7-9-27)12-24-22(28)21-14(2)26-15(3)29-21/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,24,28)
InChIKeyHHIVBDFKFHABMO-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.93
Rot. Bonds4

About N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 131923088) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID131923088
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC NameN-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1cc(N2CCC(CNC(=O)c3oc(C)nc3C)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C22H25FN4O2/c1-13-10-20(18-11-17(23)4-5-19(18)25-13)27-8-6-16(7-9-27)12-24-22(28)21-14(2)26-15(3)29-21/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,24,28)
InChIKeyHHIVBDFKFHABMO-UHFFFAOYSA-N
XLogP3.93
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133368551
N-[[1-(6-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 131938558
2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
CID 137200023
N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131942655
6-fluoro-2-methyl-4-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline
CID 133368472
6-fluoro-2-methyl-4-[3-(2-methylpropoxy)pyrrolidin-1-yl]quinoline
CID 133369112
1-[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]-3-phenylthiourea
CID 118729694
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-6-fluoro-2-methylquinoline
CID 133368181
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
6-fluoro-2-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinoline
CID 133458892
6-fluoro-2-methyl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline
CID 133388694
4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060187

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 131923088) is N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1cc(N2CCC(CNC(=O)c3oc(C)nc3C)CC2)c2cc(F)ccc2n1.
What is the InChIKey of N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is HHIVBDFKFHABMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-13-10-20(18-11-17(23)4-5-19(18)25-13)27-8-6-16(7-9-27)12-24-22(28)21-14(2)26-15(3)29-21/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,24,28).
What are the key properties of N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 131923088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).