[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol

C31H27F2N5O2 — CID 68630333

IUPAC[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1ccc(CO)cc1
InChIInChI=1S/C31H27F2N5O2/c1-19-30(25-4-2-3-9-34-25)37-27-15-22(32)14-24(33)29(27)31(19)36-26-16-28(38-10-12-40-13-11-38)35-17-23(26)21-7-5-20(18-39)6-8-21/h2-9,14-17,39H,10-13,18H2,1H3,(H,35,36,37)
InChIKeyRIHDEZQZFDICAR-UHFFFAOYSA-N
MW539.59 g/mol
LogP6.02
Rot. Bonds6

About [4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol

[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol (PubChem CID 68630333) has the molecular formula C31H27F2N5O2 and a molecular weight of 539.59 g/mol. Its IUPAC name is [4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol
PubChem CID68630333
Molecular FormulaC31H27F2N5O2
Molecular Weight539.59 g/mol
Exact Mass539.21
IUPAC Name[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1ccc(CO)cc1
InChIInChI=1S/C31H27F2N5O2/c1-19-30(25-4-2-3-9-34-25)37-27-15-22(32)14-24(33)29(27)31(19)36-26-16-28(38-10-12-40-13-11-38)35-17-23(26)21-7-5-20(18-39)6-8-21/h2-9,14-17,39H,10-13,18H2,1H3,(H,35,36,37)
InChIKeyRIHDEZQZFDICAR-UHFFFAOYSA-N
XLogP6.02
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.59
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol?
The IUPAC name of [4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol (CID 68630333) is [4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol.
What is the SMILES notation for [4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol?
The canonical SMILES for [4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1ccc(CO)cc1.
What is the InChIKey of [4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol?
The InChIKey is RIHDEZQZFDICAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F2N5O2/c1-19-30(25-4-2-3-9-34-25)37-27-15-22(32)14-24(33)29(27)31(19)36-26-16-28(38-10-12-40-13-11-38)35-17-23(26)21-7-5-20(18-39)6-8-21/h2-9,14-17,39H,10-13,18H2,1H3,(H,35,36,37).
What are the key properties of [4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol?
[4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol has a molecular weight of 539.59 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-6-morpholin-4-yl-3-pyridinyl]phenyl]methanol is sourced from PubChem (CID 68630333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).