3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene

C37H40FN3O4 — CID 143878320

IUPAC3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene
SMILESCNc1ccc(Cc2ccnc3cc(OCCN4CCOCC4)c(OC)cc23)c(F)c1.COc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H28FN3O3.C13H12O/c1-26-19-4-3-18(21(25)14-19)13-17-5-6-27-22-16-24(23(29-2)15-20(17)22)31-12-9-28-7-10-30-11-8-28;1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h3-6,14-16,26H,7-13H2,1-2H3;2-10H,1H3
InChIKeyDLWMRKKVJSFQFM-UHFFFAOYSA-N
MW609.74 g/mol
LogP7.09
Rot. Bonds10

About 3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene

3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene (PubChem CID 143878320) has the molecular formula C37H40FN3O4 and a molecular weight of 609.74 g/mol. Its IUPAC name is 3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene.

Molecular Properties

Compound Name3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene
PubChem CID143878320
Molecular FormulaC37H40FN3O4
Molecular Weight609.74 g/mol
Exact Mass609.30
IUPAC Name3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene
SMILESCNc1ccc(Cc2ccnc3cc(OCCN4CCOCC4)c(OC)cc23)c(F)c1.COc1cccc(-c2ccccc2)c1
InChIInChI=1S/C24H28FN3O3.C13H12O/c1-26-19-4-3-18(21(25)14-19)13-17-5-6-27-22-16-24(23(29-2)15-20(17)22)31-12-9-28-7-10-30-11-8-28;1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h3-6,14-16,26H,7-13H2,1-2H3;2-10H,1H3
InChIKeyDLWMRKKVJSFQFM-UHFFFAOYSA-N
XLogP7.09
TPSA65.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.74
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-fluoro-4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]methyl]phenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 71122816
N-[3-fluoro-4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]methyl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 70964517
N-[3-fluoro-4-[[6-methoxy-7-(2-piperidin-1-ylethoxy)quinolin-4-yl]methyl]phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 70964488
4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103
N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(2-fluorophenyl)acetamide
CID 58249580
sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate
CID 141269409
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-oxo-4-phenylbutanamide
CID 59791949
N-[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-1-methylpyrazole-3-sulfonamide
CID 67074506
2-chloro-4-fluoro-5-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]amino]phenol
CID 22646596
N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 59791935
N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-sulfanylcarbamoyl]-2-(2-fluorophenyl)acetamide
CID 87305315
N-[[3-fluoro-4-[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-sulfanylcarbamoyl]-2-(3-fluorophenyl)acetamide
CID 87305822

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene?
The IUPAC name of 3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene (CID 143878320) is 3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene.
What is the SMILES notation for 3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene?
The canonical SMILES for 3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene is CNc1ccc(Cc2ccnc3cc(OCCN4CCOCC4)c(OC)cc23)c(F)c1.COc1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene?
The InChIKey is DLWMRKKVJSFQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3.C13H12O/c1-26-19-4-3-18(21(25)14-19)13-17-5-6-27-22-16-24(23(29-2)15-20(17)22)31-12-9-28-7-10-30-11-8-28;1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11/h3-6,14-16,26H,7-13H2,1-2H3;2-10H,1H3.
What are the key properties of 3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene?
3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene has a molecular weight of 609.74 g/mol, XLogP of 7.09, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[6-methoxy-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]methyl]-N-methylaniline;1-methoxy-3-phenylbenzene is sourced from PubChem (CID 143878320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).