7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one

C20H15F2N5O — CID 25211522

IUPAC7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one
SMILESCc1ccnc(N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2ncccn2)c1
InChIInChI=1S/C20H15F2N5O/c1-12-5-8-23-16(9-12)27(20-24-6-2-7-25-20)11-13-10-17(28)26-19-14(13)3-4-15(21)18(19)22/h2-10H,11H2,1H3,(H,26,28)
InChIKeyMTPJZAOMUXWIAT-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.64
Rot. Bonds4

About 7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one

7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one (PubChem CID 25211522) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is 7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one
PubChem CID25211522
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one
SMILESCc1ccnc(N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2ncccn2)c1
InChIInChI=1S/C20H15F2N5O/c1-12-5-8-23-16(9-12)27(20-24-6-2-7-25-20)11-13-10-17(28)26-19-14(13)3-4-15(21)18(19)22/h2-10H,11H2,1H3,(H,26,28)
InChIKeyMTPJZAOMUXWIAT-UHFFFAOYSA-N
XLogP3.64
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one (CID 25211522) is 7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one is Cc1ccnc(N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2ncccn2)c1.
What is the InChIKey of 7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one?
The InChIKey is MTPJZAOMUXWIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c1-12-5-8-23-16(9-12)27(20-24-6-2-7-25-20)11-13-10-17(28)26-19-14(13)3-4-15(21)18(19)22/h2-10H,11H2,1H3,(H,26,28).
What are the key properties of 7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one?
7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one has a molecular weight of 379.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-[[(4-methyl-2-pyridinyl)-pyrimidin-2-ylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 25211522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).