N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide

C24H19ClFN3O2 — CID 167561863

IUPACN-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
SMILESCc1ccc2c(Oc3cccc(C(=O)NCc4ccnc(Cl)c4F)c3C)ccnc2c1
InChIInChI=1S/C24H19ClFN3O2/c1-14-6-7-18-19(12-14)27-11-9-21(18)31-20-5-3-4-17(15(20)2)24(30)29-13-16-8-10-28-23(25)22(16)26/h3-12H,13H2,1-2H3,(H,29,30)
InChIKeyYVGIWPOHCTXXQQ-UHFFFAOYSA-N
MW435.89 g/mol
LogP5.76
Rot. Bonds5

About N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide

N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide (PubChem CID 167561863) has the molecular formula C24H19ClFN3O2 and a molecular weight of 435.89 g/mol. Its IUPAC name is N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
PubChem CID167561863
Molecular FormulaC24H19ClFN3O2
Molecular Weight435.89 g/mol
Exact Mass435.11
IUPAC NameN-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
SMILESCc1ccc2c(Oc3cccc(C(=O)NCc4ccnc(Cl)c4F)c3C)ccnc2c1
InChIInChI=1S/C24H19ClFN3O2/c1-14-6-7-18-19(12-14)27-11-9-21(18)31-20-5-3-4-17(15(20)2)24(30)29-13-16-8-10-28-23(25)22(16)26/h3-12H,13H2,1-2H3,(H,29,30)
InChIKeyYVGIWPOHCTXXQQ-UHFFFAOYSA-N
XLogP5.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.89
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167638002
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
N-[(3,5-dimethyl-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561865
N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167629765
N-[(3-fluoro-4-pyridinyl)methyl]-3-(7-iodoquinolin-4-yl)oxy-2-methylbenzamide
CID 166050617
3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide
CID 155779160
ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 155779132
ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate
CID 167643901
2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide
CID 167602082
N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167636843
3-[7-(dimethylamino)quinolin-4-yl]oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide
CID 155778829

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The IUPAC name of N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide (CID 167561863) is N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide.
What is the SMILES notation for N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The canonical SMILES for N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide is Cc1ccc2c(Oc3cccc(C(=O)NCc4ccnc(Cl)c4F)c3C)ccnc2c1.
What is the InChIKey of N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
The InChIKey is YVGIWPOHCTXXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2/c1-14-6-7-18-19(12-14)27-11-9-21(18)31-20-5-3-4-17(15(20)2)24(30)29-13-16-8-10-28-23(25)22(16)26/h3-12H,13H2,1-2H3,(H,29,30).
What are the key properties of N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide?
N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide has a molecular weight of 435.89 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide is sourced from PubChem (CID 167561863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).