2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide

C27H21N5O2 — CID 155778979

IUPAC2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide
SMILESCc1c(Oc2ccnc3cc(-c4cncnc4)ccc23)cccc1C(=O)NCc1ccncc1
InChIInChI=1S/C27H21N5O2/c1-18-22(27(33)32-14-19-7-10-28-11-8-19)3-2-4-25(18)34-26-9-12-31-24-13-20(5-6-23(24)26)21-15-29-17-30-16-21/h2-13,15-17H,14H2,1H3,(H,32,33)
InChIKeyORKKULOPSXAHFV-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.12
Rot. Bonds6

About 2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide

2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide (PubChem CID 155778979) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide
PubChem CID155778979
Molecular FormulaC27H21N5O2
Molecular Weight447.50 g/mol
Exact Mass447.17
IUPAC Name2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide
SMILESCc1c(Oc2ccnc3cc(-c4cncnc4)ccc23)cccc1C(=O)NCc1ccncc1
InChIInChI=1S/C27H21N5O2/c1-18-22(27(33)32-14-19-7-10-28-11-8-19)3-2-4-25(18)34-26-9-12-31-24-13-20(5-6-23(24)26)21-15-29-17-30-16-21/h2-13,15-17H,14H2,1H3,(H,32,33)
InChIKeyORKKULOPSXAHFV-UHFFFAOYSA-N
XLogP5.12
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(7-pyrazin-2-ylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 155778804
3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155779221
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide
CID 155779160
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
N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167638002
N-[(3-fluoro-4-pyridinyl)methyl]-3-(7-iodoquinolin-4-yl)oxy-2-methylbenzamide
CID 166050617
ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 155779132
N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide
CID 155778881
1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide
CID 155778893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide?
The IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide (CID 155778979) is 2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide.
What is the SMILES notation for 2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide?
The canonical SMILES for 2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide is Cc1c(Oc2ccnc3cc(-c4cncnc4)ccc23)cccc1C(=O)NCc1ccncc1.
What is the InChIKey of 2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide?
The InChIKey is ORKKULOPSXAHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2/c1-18-22(27(33)32-14-19-7-10-28-11-8-19)3-2-4-25(18)34-26-9-12-31-24-13-20(5-6-23(24)26)21-15-29-17-30-16-21/h2-13,15-17H,14H2,1H3,(H,32,33).
What are the key properties of 2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide?
2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide has a molecular weight of 447.50 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide is sourced from PubChem (CID 155778979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).