N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide

C32H26F2N2O5 — CID 139963965

IUPACN-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide
SMILESCOc1cc(OC)cc(-n2cc(C(=O)N(C)c3cc(F)cc(F)c3)c(=O)c3ccc(OCc4ccccc4)cc32)c1
InChIInChI=1S/C32H26F2N2O5/c1-35(23-12-21(33)11-22(34)13-23)32(38)29-18-36(24-14-26(39-2)16-27(15-24)40-3)30-17-25(9-10-28(30)31(29)37)41-19-20-7-5-4-6-8-20/h4-18H,19H2,1-3H3
InChIKeyKPOLWQRXPCWDOG-UHFFFAOYSA-N
MW556.57 g/mol
LogP6.14
Rot. Bonds8

About N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide

N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide (PubChem CID 139963965) has the molecular formula C32H26F2N2O5 and a molecular weight of 556.57 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide
PubChem CID139963965
Molecular FormulaC32H26F2N2O5
Molecular Weight556.57 g/mol
Exact Mass556.18
IUPAC NameN-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide
SMILESCOc1cc(OC)cc(-n2cc(C(=O)N(C)c3cc(F)cc(F)c3)c(=O)c3ccc(OCc4ccccc4)cc32)c1
InChIInChI=1S/C32H26F2N2O5/c1-35(23-12-21(33)11-22(34)13-23)32(38)29-18-36(24-14-26(39-2)16-27(15-24)40-3)30-17-25(9-10-28(30)31(29)37)41-19-20-7-5-4-6-8-20/h4-18H,19H2,1-3H3
InChIKeyKPOLWQRXPCWDOG-UHFFFAOYSA-N
XLogP6.14
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.57
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-diethoxyphenyl)-N-(3,5-difluorophenyl)-4-oxo-7-phenylmethoxy-N-propan-2-ylquinoline-3-carboxamide
CID 139964029
tert-butyl 3-[3-[(3,5-difluorophenyl)-ethylcarbamoyl]-4-oxo-7-phenylmethoxyquinolin-1-yl]-5-methoxybenzoate
CID 139963996
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
N-(3,5-difluorophenyl)-1-(3-ethoxy-5-propan-2-yloxyphenyl)-N-ethyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide
CID 139963685
N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-7-(methoxymethoxy)-4-oxo-N-prop-2-ynylquinoline-3-carboxamide
CID 139963887
methyl 1-(3,5-diethoxyphenyl)-4-oxo-7-phenylmethoxyquinoline-3-carboxylate
CID 139963868
N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-ethyl-7-[4-(1-methylpyridin-1-ium-3-yl)butoxy]-4-oxoquinoline-3-carboxamide
CID 139963951
7-[[4-(2-bromoethyl)phenyl]methoxy]-1-(3,5-dimethoxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 139964231
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-(3,5-dimethoxyphenyl)-N-ethyl-4-oxo-7-[7-(3-phenylpyridin-1-ium-1-yl)heptoxy]quinoline-3-carboxamide
CID 139963816
1-[3-(methoxymethoxy)phenyl]-4-oxo-7-phenylmethoxyquinoline-3-carboxylic acid
CID 139963681
7-(7-bromoheptoxy)-N-(3,5-difluorophenyl)-N-ethyl-1-(3-methoxy-5-propan-2-yloxyphenyl)-4-oxoquinoline-3-carboxamide
CID 139963708

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide (CID 139963965) is N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide is COc1cc(OC)cc(-n2cc(C(=O)N(C)c3cc(F)cc(F)c3)c(=O)c3ccc(OCc4ccccc4)cc32)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide?
The InChIKey is KPOLWQRXPCWDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N2O5/c1-35(23-12-21(33)11-22(34)13-23)32(38)29-18-36(24-14-26(39-2)16-27(15-24)40-3)30-17-25(9-10-28(30)31(29)37)41-19-20-7-5-4-6-8-20/h4-18H,19H2,1-3H3.
What are the key properties of N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide?
N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide has a molecular weight of 556.57 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-1-(3,5-dimethoxyphenyl)-N-methyl-4-oxo-7-phenylmethoxyquinoline-3-carboxamide is sourced from PubChem (CID 139963965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).