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

C31H28F2N6O2 — CID 66632353

IUPAC5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3cccc(C)n3)nc3cc(F)cc(F)c23)cn1
InChIInChI=1S/C31H28F2N6O2/c1-18-5-4-6-24(36-18)30-19(2)31(29-23(33)13-21(32)14-26(29)38-30)37-25-15-27(39-9-11-41-12-10-39)34-17-22(25)20-7-8-28(40-3)35-16-20/h4-8,13-17H,9-12H2,1-3H3,(H,34,37,38)
InChIKeyCQTGKOLMVWYYSQ-UHFFFAOYSA-N
MW554.60 g/mol
LogP6.24
Rot. Bonds6

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

5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine (PubChem CID 66632353) has the molecular formula C31H28F2N6O2 and a molecular weight of 554.60 g/mol. Its IUPAC name is 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine
PubChem CID66632353
Molecular FormulaC31H28F2N6O2
Molecular Weight554.60 g/mol
Exact Mass554.22
IUPAC Name5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine
SMILESCOc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3cccc(C)n3)nc3cc(F)cc(F)c23)cn1
InChIInChI=1S/C31H28F2N6O2/c1-18-5-4-6-24(36-18)30-19(2)31(29-23(33)13-21(32)14-26(29)38-30)37-25-15-27(39-9-11-41-12-10-39)34-17-22(25)20-7-8-28(40-3)35-16-20/h4-8,13-17H,9-12H2,1-3H3,(H,34,37,38)
InChIKeyCQTGKOLMVWYYSQ-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-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine with MolForge

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Related Compounds

CID 139390026
CID 139390026
CID 5330125
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CID 10202829
CID 10202829
CID 23648180
CID 23648180
CID 44521022
CID 44521022
CID 44521024
CID 44521024
CID 10256734
CID 10256734
CID 166628927
CID 166628927
CID 11495114
CID 11495114
CID 23648179
CID 23648179
CID 50898518
CID 50898518
CID 166629066
CID 166629066

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine (CID 66632353) is 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine is COc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3cccc(C)n3)nc3cc(F)cc(F)c23)cn1.
What is the InChIKey of 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine?
The InChIKey is CQTGKOLMVWYYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N6O2/c1-18-5-4-6-24(36-18)30-19(2)31(29-23(33)13-21(32)14-26(29)38-30)37-25-15-27(39-9-11-41-12-10-39)34-17-22(25)20-7-8-28(40-3)35-16-20/h4-8,13-17H,9-12H2,1-3H3,(H,34,37,38).
What are the key properties of 5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine?
5,7-difluoro-N-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-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-[5-(6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-(6-methyl-2-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 66632353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).