N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide

C30H29FN4O3 — CID 167636843

IUPACN-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
SMILESCc1ccc2c(Oc3cccc(C(=O)NCc4ccnc(C(=O)N5CCC(F)CC5)c4)c3C)ccnc2c1
InChIInChI=1S/C30H29FN4O3/c1-19-6-7-24-25(16-19)32-13-9-28(24)38-27-5-3-4-23(20(27)2)29(36)34-18-21-8-12-33-26(17-21)30(37)35-14-10-22(31)11-15-35/h3-9,12-13,16-17,22H,10-11,14-15,18H2,1-2H3,(H,34,36)
InChIKeyOPGCXKBGFVBYPK-UHFFFAOYSA-N
MW512.59 g/mol
LogP5.54
Rot. Bonds6

About N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide

N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide (PubChem CID 167636843) has the molecular formula C30H29FN4O3 and a molecular weight of 512.59 g/mol. Its IUPAC name is N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
PubChem CID167636843
Molecular FormulaC30H29FN4O3
Molecular Weight512.59 g/mol
Exact Mass512.22
IUPAC NameN-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
SMILESCc1ccc2c(Oc3cccc(C(=O)NCc4ccnc(C(=O)N5CCC(F)CC5)c4)c3C)ccnc2c1
InChIInChI=1S/C30H29FN4O3/c1-19-6-7-24-25(16-19)32-13-9-28(24)38-27-5-3-4-23(20(27)2)29(36)34-18-21-8-12-33-26(17-21)30(37)35-14-10-22(31)11-15-35/h3-9,12-13,16-17,22H,10-11,14-15,18H2,1-2H3,(H,34,36)
InChIKeyOPGCXKBGFVBYPK-UHFFFAOYSA-N
XLogP5.54
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.59
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide with MolForge

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide
CID 167602082
N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167629765
N-[(3,5-dimethyl-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561865
3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 155779132
N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167638002
N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561863
3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide
CID 155779160
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155779221
3-[7-(dimethylamino)quinolin-4-yl]oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide
CID 155778829
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 155779109

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The IUPAC name of N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide (CID 167636843) is N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide.
What is the SMILES notation for N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The canonical SMILES for N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide is Cc1ccc2c(Oc3cccc(C(=O)NCc4ccnc(C(=O)N5CCC(F)CC5)c4)c3C)ccnc2c1.
What is the InChIKey of N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The InChIKey is OPGCXKBGFVBYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN4O3/c1-19-6-7-24-25(16-19)32-13-9-28(24)38-27-5-3-4-23(20(27)2)29(36)34-18-21-8-12-33-26(17-21)30(37)35-14-10-22(31)11-15-35/h3-9,12-13,16-17,22H,10-11,14-15,18H2,1-2H3,(H,34,36).
What are the key properties of N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide has a molecular weight of 512.59 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide is sourced from PubChem (CID 167636843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).