5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

C32H30F2N6O2 — CID 66631946

IUPAC5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)c(C)n1
InChIInChI=1S/C32H30F2N6O2/c1-18-7-8-35-27(13-18)31-19(2)32(30-24(34)14-21(33)15-26(30)39-31)38-25-16-28(40-9-11-42-12-10-40)36-17-23(25)22-5-6-29(41-4)37-20(22)3/h5-8,13-17H,9-12H2,1-4H3,(H,36,38,39)
InChIKeyNKQGJRIYAXQCAS-UHFFFAOYSA-N
MW568.63 g/mol
LogP6.55
Rot. Bonds6

About 5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine

5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (PubChem CID 66631946) has the molecular formula C32H30F2N6O2 and a molecular weight of 568.63 g/mol. Its IUPAC name is 5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
PubChem CID66631946
Molecular FormulaC32H30F2N6O2
Molecular Weight568.63 g/mol
Exact Mass568.24
IUPAC Name5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)c(C)n1
InChIInChI=1S/C32H30F2N6O2/c1-18-7-8-35-27(13-18)31-19(2)32(30-24(34)14-21(33)15-26(30)39-31)38-25-16-28(40-9-11-42-12-10-40)36-17-23(25)22-5-6-29(41-4)37-20(22)3/h5-8,13-17H,9-12H2,1-4H3,(H,36,38,39)
InChIKeyNKQGJRIYAXQCAS-UHFFFAOYSA-N
XLogP6.55
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.63
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (CID 66631946) is 5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is COc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)c(C)n1.
What is the InChIKey of 5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The InChIKey is NKQGJRIYAXQCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N6O2/c1-18-7-8-35-27(13-18)31-19(2)32(30-24(34)14-21(33)15-26(30)39-31)38-25-16-28(40-9-11-42-12-10-40)36-17-23(25)22-5-6-29(41-4)37-20(22)3/h5-8,13-17H,9-12H2,1-4H3,(H,36,38,39).
What are the key properties of 5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine has a molecular weight of 568.63 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[5-(6-methoxy-2-methyl-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 66631946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).