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

C58H46BrF4N9O3 — CID 157086338

IUPACN-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cccc(-c2ncc(Br)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.COc1cccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C31H27F2N5O2.C27H19BrF2N4O/c1-19-29(25-8-3-4-9-34-25)36-26-16-21(32)15-24(33)28(26)30(19)37-27-17-22(38-10-12-40-13-11-38)18-35-31(27)20-6-5-7-23(14-20)39-2;1-15-25(21-8-3-4-9-31-21)33-22-13-18(29)12-20(30)24(22)26(15)34-23-11-17(28)14-32-27(23)16-6-5-7-19(10-16)35-2/h3-9,14-18H,10-13H2,1-2H3,(H,36,37);3-14H,1-2H3,(H,33,34)
InChIKeyAECYQGYZBIHMQT-UHFFFAOYSA-N
MW1072.96 g/mol
LogP13.99
Rot. Bonds11

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

N-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 157086338) has the molecular formula C58H46BrF4N9O3 and a molecular weight of 1072.96 g/mol. Its IUPAC name is N-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID157086338
Molecular FormulaC58H46BrF4N9O3
Molecular Weight1072.96 g/mol
Exact Mass1071.28
IUPAC NameN-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cccc(-c2ncc(Br)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.COc1cccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C31H27F2N5O2.C27H19BrF2N4O/c1-19-29(25-8-3-4-9-34-25)36-26-16-21(32)15-24(33)28(26)30(19)37-27-17-22(38-10-12-40-13-11-38)18-35-31(27)20-6-5-7-23(14-20)39-2;1-15-25(21-8-3-4-9-31-21)33-22-13-18(29)12-20(30)24(22)26(15)34-23-11-17(28)14-32-27(23)16-6-5-7-19(10-16)35-2/h3-9,14-18H,10-13H2,1-2H3,(H,36,37);3-14H,1-2H3,(H,33,34)
InChIKeyAECYQGYZBIHMQT-UHFFFAOYSA-N
XLogP13.99
TPSA132.33 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001072.96
LogP ≤ 513.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

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Launch Full Analysis

Related Compounds

4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-5,7-difluoro-2-(3-methoxybenzyl)-3-methylquinoline
CID 67284688
1'-(5,7-Difluoro-2-(2-methoxy-4-pyridinyl)-3-methyl-4-quinolinyl)-6'-(4-morpholinyl)-1',2,2',3,5,6-hexahydrospiro-[pyran-4,3'-pyrrolo[3,2-b]pyridine]
CID 67285595
N-(2-(4-(difluoromethoxy)phenyl)-5-morpholinopyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 50907386
5,7-difluoro-N-(2-(4-methoxy-2,6-dimethylphenyl)-5-morpholinopyridin-3-yl)-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 50907388
5,7-difluoro-N-(5'-methoxy-5-morpholino-2,3'-bipyridin-3-yl)-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 50907603
5,7-difluoro-N-(2'-methoxy-5-morpholino-2,4'-bipyridin-3-yl)-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 50907604
N-(6'-ethoxy-5-morpholino-2,3'-bipyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 50907605
5,7-difluoro-N-(3'-methoxy-5-morpholino-2,4'-bipyridin-3-yl)-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 50907607
5,7-difluoro-N-(2'-methoxy-5-morpholino-2,3'-bipyridin-3-yl)-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 50907820
5,7-difluoro-N-(6'-methoxy-5-morpholino-2,3'-bipyridin-3-yl)-3-methyl-2-(4-methylpyridin-2-yl)quinolin-4-amine
CID 50907821
5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 50907822
5,7-Difluoro-N-(2-(4-methoxyphenyl)-5-(4-morpholinyl)-3-pyridinyl)-3-methyl-2-(2-pyridinyl)-4-quinolinamine
CID 50907823

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 157086338) is N-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1cccc(-c2ncc(Br)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.COc1cccc(-c2ncc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.
What is the InChIKey of N-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is AECYQGYZBIHMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F2N5O2.C27H19BrF2N4O/c1-19-29(25-8-3-4-9-34-25)36-26-16-21(32)15-24(33)28(26)30(19)37-27-17-22(38-10-12-40-13-11-38)18-35-31(27)20-6-5-7-23(14-20)39-2;1-15-25(21-8-3-4-9-31-21)33-22-13-18(29)12-20(30)24(22)26(15)34-23-11-17(28)14-32-27(23)16-6-5-7-19(10-16)35-2/h3-9,14-18H,10-13H2,1-2H3,(H,36,37);3-14H,1-2H3,(H,33,34).
What are the key properties of N-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 1072.96 g/mol, XLogP of 13.99, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(3-methoxyphenyl)-3-pyridinyl]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-[2-(3-methoxyphenyl)-5-morpholin-4-yl-3-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 157086338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).