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

C30H25F3N6O2 — CID 56597849

IUPAC5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cc1F
InChIInChI=1S/C30H25F3N6O2/c1-17-28(23-5-3-4-6-34-23)38-25-13-19(31)12-21(32)27(25)29(17)37-24-14-26(39-7-9-41-10-8-39)35-16-20(24)18-11-22(33)30(40-2)36-15-18/h3-6,11-16H,7-10H2,1-2H3,(H,35,37,38)
InChIKeyYZKVDQQFUBNPEY-UHFFFAOYSA-N
MW558.56 g/mol
LogP6.07
Rot. Bonds6

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

5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 56597849) has the molecular formula C30H25F3N6O2 and a molecular weight of 558.56 g/mol. Its IUPAC name is 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID56597849
Molecular FormulaC30H25F3N6O2
Molecular Weight558.56 g/mol
Exact Mass558.20
IUPAC Name5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1ncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cc1F
InChIInChI=1S/C30H25F3N6O2/c1-17-28(23-5-3-4-6-34-23)38-25-13-19(31)12-21(32)27(25)29(17)37-24-14-26(39-7-9-41-10-8-39)35-16-20(24)18-11-22(33)30(40-2)36-15-18/h3-6,11-16H,7-10H2,1-2H3,(H,35,37,38)
InChIKeyYZKVDQQFUBNPEY-UHFFFAOYSA-N
XLogP6.07
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.56
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

Inixaciclib
CID 139390026
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
(1R)-1-[7-[(5-fluoro-2-morpholin-4-yl-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166628927
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
3-(6-Methoxy-3-pyridyl)-5-(6-quinolyl)pyridin-2-amine
CID 53312320
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
Dibenzo[c,f][2,7]naphthyridine, 13
CID 23648179
(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166629066
(R)-1-(6-Methoxyquinolin-4-yl)-2-{4-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)amino]piperidin-1-yl}ethanol
CID 10204096
N-[2-methoxy-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]methanesulfonamide
CID 57545852
2,4-difluoro-N-[2-methoxy-5-[4-(4-morpholinyl)-6-quinazolinyl]-3-pyridinyl]Benzenesulfonamide
CID 57545876

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 56597849) is 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1ncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cc1F.
What is the InChIKey of 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is YZKVDQQFUBNPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N6O2/c1-17-28(23-5-3-4-6-34-23)38-25-13-19(31)12-21(32)27(25)29(17)37-24-14-26(39-7-9-41-10-8-39)35-16-20(24)18-11-22(33)30(40-2)36-15-18/h3-6,11-16H,7-10H2,1-2H3,(H,35,37,38).
What are the key properties of 5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-N-[5-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 558.56 g/mol, XLogP of 6.07, 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-(5-fluoro-6-methoxy-3-pyridinyl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 56597849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).