3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide

C23H17ClFN3O2 — CID 155778806

IUPAC3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide
SMILESCc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1ccncc1F
InChIInChI=1S/C23H17ClFN3O2/c1-14-17(23(29)28-12-15-7-9-26-13-19(15)25)3-2-4-21(14)30-22-8-10-27-20-11-16(24)5-6-18(20)22/h2-11,13H,12H2,1H3,(H,28,29)
InChIKeyCVZFDJNXKRXNEW-UHFFFAOYSA-N
MW421.86 g/mol
LogP5.45
Rot. Bonds5

About 3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide

3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide (PubChem CID 155778806) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is 3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide
PubChem CID155778806
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC Name3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide
SMILESCc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1ccncc1F
InChIInChI=1S/C23H17ClFN3O2/c1-14-17(23(29)28-12-15-7-9-26-13-19(15)25)3-2-4-21(14)30-22-8-10-27-20-11-16(24)5-6-18(20)22/h2-11,13H,12H2,1H3,(H,28,29)
InChIKeyCVZFDJNXKRXNEW-UHFFFAOYSA-N
XLogP5.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.86
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide?
The IUPAC name of 3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide (CID 155778806) is 3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide is Cc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1ccncc1F.
What is the InChIKey of 3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide?
The InChIKey is CVZFDJNXKRXNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c1-14-17(23(29)28-12-15-7-9-26-13-19(15)25)3-2-4-21(14)30-22-8-10-27-20-11-16(24)5-6-18(20)22/h2-11,13H,12H2,1H3,(H,28,29).
What are the key properties of 3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide?
3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide has a molecular weight of 421.86 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroquinolin-4-yl)oxy-N-[(3-fluoro-4-pyridinyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 155778806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).