1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide

C34H38FN3O6 — CID 86732810

IUPAC1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCN2CCCC2)c(=O)c2c(F)c(OCc3ccc(OC)cc3)c(OCc3ccc(OC)cc3)cc21
InChIInChI=1S/C34H38FN3O6/c1-4-38-20-27(34(40)36-15-18-37-16-5-6-17-37)32(39)30-28(38)19-29(43-21-23-7-11-25(41-2)12-8-23)33(31(30)35)44-22-24-9-13-26(42-3)14-10-24/h7-14,19-20H,4-6,15-18,21-22H2,1-3H3,(H,36,40)
InChIKeyWZUYSCICNIQYHR-UHFFFAOYSA-N
MW603.69 g/mol
LogP5.16
Rot. Bonds13

About 1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide

1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide (PubChem CID 86732810) has the molecular formula C34H38FN3O6 and a molecular weight of 603.69 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
PubChem CID86732810
Molecular FormulaC34H38FN3O6
Molecular Weight603.69 g/mol
Exact Mass603.27
IUPAC Name1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCCN2CCCC2)c(=O)c2c(F)c(OCc3ccc(OC)cc3)c(OCc3ccc(OC)cc3)cc21
InChIInChI=1S/C34H38FN3O6/c1-4-38-20-27(34(40)36-15-18-37-16-5-6-17-37)32(39)30-28(38)19-29(43-21-23-7-11-25(41-2)12-8-23)33(31(30)35)44-22-24-9-13-26(42-3)14-10-24/h7-14,19-20H,4-6,15-18,21-22H2,1-3H3,(H,36,40)
InChIKeyWZUYSCICNIQYHR-UHFFFAOYSA-N
XLogP5.16
TPSA91.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.69
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid
CID 90373650
5-chloro-1-ethyl-3-(hydroxymethyl)-6,7-bis[(4-methoxyphenyl)methoxy]quinolin-4-one
CID 86732765
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
5-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 118451632
2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide
CID 139616736
N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-5-chloro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-1-(2-trimethylsilylethoxymethyl)quinoline-3-carboxamide
CID 123676597
1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
1-ethyl-6-morpholin-4-ylsulfonyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide
CID 131841686
2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
CID 61241340
ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate
CID 86732827
5-chloro-11-fluoro-10-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-14-oxo-N-(2-pyrrolidin-1-ylethyl)-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaene-15-carboxamide
CID 59751741
1-ethyl-6-fluoro-3-(hydroxymethyl)-7,8-bis[(4-methoxyphenyl)methoxy]quinolin-4-one
CID 86732812

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide (CID 86732810) is 1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide is CCn1cc(C(=O)NCCN2CCCC2)c(=O)c2c(F)c(OCc3ccc(OC)cc3)c(OCc3ccc(OC)cc3)cc21.
What is the InChIKey of 1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide?
The InChIKey is WZUYSCICNIQYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN3O6/c1-4-38-20-27(34(40)36-15-18-37-16-5-6-17-37)32(39)30-28(38)19-29(43-21-23-7-11-25(41-2)12-8-23)33(31(30)35)44-22-24-9-13-26(42-3)14-10-24/h7-14,19-20H,4-6,15-18,21-22H2,1-3H3,(H,36,40).
What are the key properties of 1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide?
1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide has a molecular weight of 603.69 g/mol, XLogP of 5.16, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxo-N-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 86732810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).