N-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C31H25F4N5O2 — CID 50907386

IUPACN-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C31H25F4N5O2/c1-18-28(24-4-2-3-9-36-24)38-25-15-20(32)14-23(33)27(25)29(18)39-26-16-21(40-10-12-41-13-11-40)17-37-30(26)19-5-7-22(8-6-19)42-31(34)35/h2-9,14-17,31H,10-13H2,1H3,(H,38,39)
InChIKeyCCDJIYNNHGKBFY-UHFFFAOYSA-N
MW575.57 g/mol
LogP7.13
Rot. Bonds7

About N-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 50907386) has the molecular formula C31H25F4N5O2 and a molecular weight of 575.57 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID50907386
Molecular FormulaC31H25F4N5O2
Molecular Weight575.57 g/mol
Exact Mass575.19
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C31H25F4N5O2/c1-18-28(24-4-2-3-9-36-24)38-25-15-20(32)14-23(33)27(25)29(18)39-26-16-21(40-10-12-41-13-11-40)17-37-30(26)19-5-7-22(8-6-19)42-31(34)35/h2-9,14-17,31H,10-13H2,1H3,(H,38,39)
InChIKeyCCDJIYNNHGKBFY-UHFFFAOYSA-N
XLogP7.13
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.57
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 50907386) is N-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is CCDJIYNNHGKBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F4N5O2/c1-18-28(24-4-2-3-9-36-24)38-25-15-20(32)14-23(33)27(25)29(18)39-26-16-21(40-10-12-41-13-11-40)17-37-30(26)19-5-7-22(8-6-19)42-31(34)35/h2-9,14-17,31H,10-13H2,1H3,(H,38,39).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 575.57 g/mol, XLogP of 7.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]-5-morpholin-4-yl-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 50907386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).