N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide

C38H37F2N3O6 — CID 139963621

IUPACN-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCOc1cc(OCc2ccccc2CN2CCCCC2O)cc(-n2cc(C(=O)N(C)c3cc(F)cc(F)c3)c(=O)c3ccc(OC)cc32)c1
InChIInChI=1S/C38H37F2N3O6/c1-41(28-15-26(39)14-27(40)16-28)38(46)34-22-43(35-20-30(47-2)11-12-33(35)37(34)45)29-17-31(48-3)19-32(18-29)49-23-25-9-5-4-8-24(25)21-42-13-7-6-10-36(42)44/h4-5,8-9,11-12,14-20,22,36,44H,6-7,10,13,21,23H2,1-3H3
InChIKeyWEBAPODBQBEUAV-UHFFFAOYSA-N
MW669.73 g/mol
LogP6.45
Rot. Bonds10

About N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide

N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 139963621) has the molecular formula C38H37F2N3O6 and a molecular weight of 669.73 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
PubChem CID139963621
Molecular FormulaC38H37F2N3O6
Molecular Weight669.73 g/mol
Exact Mass669.27
IUPAC NameN-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCOc1cc(OCc2ccccc2CN2CCCCC2O)cc(-n2cc(C(=O)N(C)c3cc(F)cc(F)c3)c(=O)c3ccc(OC)cc32)c1
InChIInChI=1S/C38H37F2N3O6/c1-41(28-15-26(39)14-27(40)16-28)38(46)34-22-43(35-20-30(47-2)11-12-33(35)37(34)45)29-17-31(48-3)19-32(18-29)49-23-25-9-5-4-8-24(25)21-42-13-7-6-10-36(42)44/h4-5,8-9,11-12,14-20,22,36,44H,6-7,10,13,21,23H2,1-3H3
InChIKeyWEBAPODBQBEUAV-UHFFFAOYSA-N
XLogP6.45
TPSA93.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.73
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide
CID 139963965
1-[3-[[2-(chloromethyl)phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 151632750
N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-7-(methoxymethoxy)-4-oxo-N-prop-2-ynylquinoline-3-carboxamide
CID 139963887
1-(3,5-diethoxyphenyl)-N-(3,5-difluorophenyl)-4-oxo-7-phenylmethoxy-N-propan-2-ylquinoline-3-carboxamide
CID 139964029
N-(3,5-difluorophenyl)-N-ethyl-7-methoxy-1-[3-methoxy-5-(3-pyridin-3-ylpropoxy)phenyl]-4-oxoquinoline-3-carboxamide
CID 139963749
N-(3,5-difluorophenyl)-1-(3-ethoxy-5-propan-2-yloxyphenyl)-N-ethyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide
CID 139963685
tert-butyl 3-[3-[(3,5-difluorophenyl)-ethylcarbamoyl]-4-oxo-7-phenylmethoxyquinolin-1-yl]-5-methoxybenzoate
CID 139963996
7-[8-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)octoxy]-N-(3,5-difluorophenyl)-N-ethyl-1-(3-methoxy-5-propoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 139964109
7-[7-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)heptoxy]-1-(3-butoxy-5-methoxyphenyl)-N-(3,5-difluorophenyl)-N-ethyl-4-oxoquinoline-3-carboxamide
CID 139963822
7-[8-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)octoxy]-1-(3-butoxy-5-methoxyphenyl)-N-(3,5-difluorophenyl)-N-ethyl-4-oxoquinoline-3-carboxamide
CID 139963947
N-(3,5-difluorophenyl)-N-ethyl-1-(3-methoxy-5-propoxyphenyl)-7-[7-(1-methylpiperidin-1-ium-1-yl)heptoxy]-4-oxoquinoline-3-carboxamide
CID 139964199
7-[7-(1-bromothiolan-1-yl)heptoxy]-N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-ethyl-4-oxoquinoline-3-carboxamide
CID 139963901

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide (CID 139963621) is N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide is COc1cc(OCc2ccccc2CN2CCCCC2O)cc(-n2cc(C(=O)N(C)c3cc(F)cc(F)c3)c(=O)c3ccc(OC)cc32)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is WEBAPODBQBEUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37F2N3O6/c1-41(28-15-26(39)14-27(40)16-28)38(46)34-22-43(35-20-30(47-2)11-12-33(35)37(34)45)29-17-31(48-3)19-32(18-29)49-23-25-9-5-4-8-24(25)21-42-13-7-6-10-36(42)44/h4-5,8-9,11-12,14-20,22,36,44H,6-7,10,13,21,23H2,1-3H3.
What are the key properties of N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide?
N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 669.73 g/mol, XLogP of 6.45, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-1-[3-[[2-[(2-hydroxypiperidin-1-yl)methyl]phenyl]methoxy]-5-methoxyphenyl]-7-methoxy-N-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 139963621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).