3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine

C33H33F2N5O — CID 91255835

IUPAC3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine
SMILESCCCN(CC)c1cnc(-c2ccc(OC)cc2)c(Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C33H33F2N5O/c1-6-14-40(7-2)24-18-29(33(37-19-24)22-8-10-25(41-5)11-9-22)39-32-21(4)31(28-15-20(3)12-13-36-28)38-27-17-23(34)16-26(35)30(27)32/h8-13,15-19H,6-7,14H2,1-5H3,(H,38,39)
InChIKeyOHULJKGTKKOEFF-UHFFFAOYSA-N
MW553.66 g/mol
LogP8.24
Rot. Bonds9

About 3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine

3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine (PubChem CID 91255835) has the molecular formula C33H33F2N5O and a molecular weight of 553.66 g/mol. Its IUPAC name is 3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine
PubChem CID91255835
Molecular FormulaC33H33F2N5O
Molecular Weight553.66 g/mol
Exact Mass553.27
IUPAC Name3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine
SMILESCCCN(CC)c1cnc(-c2ccc(OC)cc2)c(Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C33H33F2N5O/c1-6-14-40(7-2)24-18-29(33(37-19-24)22-8-10-25(41-5)11-9-22)39-32-21(4)31(28-15-20(3)12-13-36-28)38-27-17-23(34)16-26(35)30(27)32/h8-13,15-19H,6-7,14H2,1-5H3,(H,38,39)
InChIKeyOHULJKGTKKOEFF-UHFFFAOYSA-N
XLogP8.24
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.66
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

5-Fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)Quinoline
CID 12004142
SB 714786
CID 10287730
1,2-Ethanediamine, N'-(2-(4-methoxyphenyl)-4-quinolinyl)-N,N-dimethyl-
CID 453054
5-Fluoro-4-methoxy-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-(trifluoromethyl)quinoline
CID 12004141
Benzo[c][2,7]naphthyridine, 42
CID 44236940
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-methylquinoline
CID 12004197
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004201
5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-(trifluoromethyl)-quinoline
CID 12004255
3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}quinoline
CID 12004280
N1,N1-diethyl-N4-(7-methoxy-4-quinolyl)pentane-1,4-diamine
CID 245068

Frequently Asked Questions

What is the IUPAC name of 3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine?
The IUPAC name of 3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine (CID 91255835) is 3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine?
The canonical SMILES for 3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine is CCCN(CC)c1cnc(-c2ccc(OC)cc2)c(Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)c1.
What is the InChIKey of 3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine?
The InChIKey is OHULJKGTKKOEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F2N5O/c1-6-14-40(7-2)24-18-29(33(37-19-24)22-8-10-25(41-5)11-9-22)39-32-21(4)31(28-15-20(3)12-13-36-28)38-27-17-23(34)16-26(35)30(27)32/h8-13,15-19H,6-7,14H2,1-5H3,(H,38,39).
What are the key properties of 3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine?
3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine has a molecular weight of 553.66 g/mol, XLogP of 8.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[5,7-difluoro-3-methyl-2-(4-methyl-2-pyridinyl)quinolin-4-yl]-5-N-ethyl-2-(4-methoxyphenyl)-5-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 91255835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).