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

C30H23F5N6O — CID 56597981

IUPAC5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cncc(C(F)(F)F)c1
InChIInChI=1S/C30H23F5N6O/c1-17-28(23-4-2-3-5-37-23)40-25-12-20(31)11-22(32)27(25)29(17)39-24-13-26(41-6-8-42-9-7-41)38-16-21(24)18-10-19(15-36-14-18)30(33,34)35/h2-5,10-16H,6-9H2,1H3,(H,38,39,40)
InChIKeyUWDNSGGSIDPEGY-UHFFFAOYSA-N
MW578.55 g/mol
LogP6.94
Rot. Bonds5

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

5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine (PubChem CID 56597981) has the molecular formula C30H23F5N6O and a molecular weight of 578.55 g/mol. Its IUPAC name is 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine
PubChem CID56597981
Molecular FormulaC30H23F5N6O
Molecular Weight578.55 g/mol
Exact Mass578.19
IUPAC Name5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine
SMILESCc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cncc(C(F)(F)F)c1
InChIInChI=1S/C30H23F5N6O/c1-17-28(23-4-2-3-5-37-23)40-25-12-20(31)11-22(32)27(25)29(17)39-24-13-26(41-6-8-42-9-7-41)38-16-21(24)18-10-19(15-36-14-18)30(33,34)35/h2-5,10-16H,6-9H2,1H3,(H,38,39,40)
InChIKeyUWDNSGGSIDPEGY-UHFFFAOYSA-N
XLogP6.94
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.55
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine (CID 56597981) is 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cncc(C(F)(F)F)c1.
What is the InChIKey of 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is UWDNSGGSIDPEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F5N6O/c1-17-28(23-4-2-3-5-37-23)40-25-12-20(31)11-22(32)27(25)29(17)39-24-13-26(41-6-8-42-9-7-41)38-16-21(24)18-10-19(15-36-14-18)30(33,34)35/h2-5,10-16H,6-9H2,1H3,(H,38,39,40).
What are the key properties of 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 578.55 g/mol, XLogP of 6.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-methyl-N-[2-morpholin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 56597981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).