5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine

C28H23F2N7O — CID 66632301

IUPAC5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cncnc1
InChIInChI=1S/C28H23F2N7O/c1-17-27(22-4-2-3-5-33-22)36-24-11-19(29)10-21(30)26(24)28(17)35-23-12-25(37-6-8-38-9-7-37)34-15-20(23)18-13-31-16-32-14-18/h2-5,10-16H,6-9H2,1H3,(H,34,35,36)
InChIKeyWZNHMBWDYDTQCT-UHFFFAOYSA-N
MW511.54 g/mol
LogP5.32
Rot. Bonds5

About 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine

5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine (PubChem CID 66632301) has the molecular formula C28H23F2N7O and a molecular weight of 511.54 g/mol. Its IUPAC name is 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
PubChem CID66632301
Molecular FormulaC28H23F2N7O
Molecular Weight511.54 g/mol
Exact Mass511.19
IUPAC Name5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cncnc1
InChIInChI=1S/C28H23F2N7O/c1-17-27(22-4-2-3-5-33-22)36-24-11-19(29)10-21(30)26(24)28(17)35-23-12-25(37-6-8-38-9-7-37)34-15-20(23)18-13-31-16-32-14-18/h2-5,10-16H,6-9H2,1H3,(H,34,35,36)
InChIKeyWZNHMBWDYDTQCT-UHFFFAOYSA-N
XLogP5.32
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.54
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine (CID 66632301) is 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cncnc1.
What is the InChIKey of 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is WZNHMBWDYDTQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N7O/c1-17-27(22-4-2-3-5-33-22)36-24-11-19(29)10-21(30)26(24)28(17)35-23-12-25(37-6-8-38-9-7-37)34-15-20(23)18-13-31-16-32-14-18/h2-5,10-16H,6-9H2,1H3,(H,34,35,36).
What are the key properties of 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 511.54 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-methyl-N-(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 66632301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).