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

C31H28F2N6O2 — CID 50907821

IUPAC5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)cn1
InChIInChI=1S/C31H28F2N6O2/c1-18-6-7-34-25(12-18)29-19(2)30(28-23(33)13-21(32)14-24(28)37-29)38-26-15-22(39-8-10-41-11-9-39)17-36-31(26)20-4-5-27(40-3)35-16-20/h4-7,12-17H,8-11H2,1-3H3,(H,37,38)
InChIKeyQYPABYGXNADCIZ-UHFFFAOYSA-N
MW554.60 g/mol
LogP6.24
Rot. Bonds6

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

5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (PubChem CID 50907821) has the molecular formula C31H28F2N6O2 and a molecular weight of 554.60 g/mol. Its IUPAC name is 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
PubChem CID50907821
Molecular FormulaC31H28F2N6O2
Molecular Weight554.60 g/mol
Exact Mass554.22
IUPAC Name5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)cn1
InChIInChI=1S/C31H28F2N6O2/c1-18-6-7-34-25(12-18)29-19(2)30(28-23(33)13-21(32)14-24(28)37-29)38-26-15-22(39-8-10-41-11-9-39)17-36-31(26)20-4-5-27(40-3)35-16-20/h4-7,12-17H,8-11H2,1-3H3,(H,37,38)
InChIKeyQYPABYGXNADCIZ-UHFFFAOYSA-N
XLogP6.24
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.60
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-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-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine (CID 50907821) is 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is COc1ccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)cn1.
What is the InChIKey of 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
The InChIKey is QYPABYGXNADCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N6O2/c1-18-6-7-34-25(12-18)29-19(2)30(28-23(33)13-21(32)14-24(28)37-29)38-26-15-22(39-8-10-41-11-9-39)17-36-31(26)20-4-5-27(40-3)35-16-20/h4-7,12-17H,8-11H2,1-3H3,(H,37,38).
What are the key properties of 5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine?
5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine has a molecular weight of 554.60 g/mol, XLogP of 6.24, 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-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 50907821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).