N-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide

C27H25F2N5O2 — CID 59631543

IUPACN-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2c(C)c(-c3cncc(F)c3)nc3cc(F)ccc23)cc(N2CCOCC2)c1
InChIInChI=1S/C27H25F2N5O2/c1-16-26(18-9-20(29)15-30-14-18)33-25-10-19(28)3-4-24(25)27(16)32-22-11-21(31-17(2)35)12-23(13-22)34-5-7-36-8-6-34/h3-4,9-15H,5-8H2,1-2H3,(H,31,35)(H,32,33)
InChIKeyCJFVVAQDMKTMMN-UHFFFAOYSA-N
MW489.53 g/mol
LogP5.42
Rot. Bonds5

About N-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide

N-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide (PubChem CID 59631543) has the molecular formula C27H25F2N5O2 and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide
PubChem CID59631543
Molecular FormulaC27H25F2N5O2
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC NameN-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2c(C)c(-c3cncc(F)c3)nc3cc(F)ccc23)cc(N2CCOCC2)c1
InChIInChI=1S/C27H25F2N5O2/c1-16-26(18-9-20(29)15-30-14-18)33-25-10-19(28)3-4-24(25)27(16)32-22-11-21(31-17(2)35)12-23(13-22)34-5-7-36-8-6-34/h3-4,9-15H,5-8H2,1-2H3,(H,31,35)(H,32,33)
InChIKeyCJFVVAQDMKTMMN-UHFFFAOYSA-N
XLogP5.42
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide?
The IUPAC name of N-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide (CID 59631543) is N-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide.
What is the SMILES notation for N-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide?
The canonical SMILES for N-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide is CC(=O)Nc1cc(Nc2c(C)c(-c3cncc(F)c3)nc3cc(F)ccc23)cc(N2CCOCC2)c1.
What is the InChIKey of N-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide?
The InChIKey is CJFVVAQDMKTMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O2/c1-16-26(18-9-20(29)15-30-14-18)33-25-10-19(28)3-4-24(25)27(16)32-22-11-21(31-17(2)35)12-23(13-22)34-5-7-36-8-6-34/h3-4,9-15H,5-8H2,1-2H3,(H,31,35)(H,32,33).
What are the key properties of N-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide?
N-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide has a molecular weight of 489.53 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[7-fluoro-2-(5-fluoro-3-pyridinyl)-3-methylquinolin-4-yl]amino]-5-morpholin-4-ylphenyl]acetamide is sourced from PubChem (CID 59631543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).