N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide

C29H27FN2O3 — CID 42328264

IUPACN-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
SMILESCOc1ccc(OC)c(-c2nc3c(C)cccc3cc2CN(C(=O)c2cccc(F)c2)C2CC2)c1
InChIInChI=1S/C29H27FN2O3/c1-18-6-4-7-19-14-21(17-32(23-10-11-23)29(33)20-8-5-9-22(30)15-20)28(31-27(18)19)25-16-24(34-2)12-13-26(25)35-3/h4-9,12-16,23H,10-11,17H2,1-3H3
InChIKeyYVJHNONZUBVOGM-UHFFFAOYSA-N
MW470.54 g/mol
LogP6.17
Rot. Bonds7

About N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide

N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide (PubChem CID 42328264) has the molecular formula C29H27FN2O3 and a molecular weight of 470.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
PubChem CID42328264
Molecular FormulaC29H27FN2O3
Molecular Weight470.54 g/mol
Exact Mass470.20
IUPAC NameN-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
SMILESCOc1ccc(OC)c(-c2nc3c(C)cccc3cc2CN(C(=O)c2cccc(F)c2)C2CC2)c1
InChIInChI=1S/C29H27FN2O3/c1-18-6-4-7-19-14-21(17-32(23-10-11-23)29(33)20-8-5-9-22(30)15-20)28(31-27(18)19)25-16-24(34-2)12-13-26(25)35-3/h4-9,12-16,23H,10-11,17H2,1-3H3
InChIKeyYVJHNONZUBVOGM-UHFFFAOYSA-N
XLogP6.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide
CID 26342096
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 29087125
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide
CID 56858761
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143284
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide
CID 47078841
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42428711
N-cyclopentyl-3-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1445613
N-cyclohexyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluorobenzamide
CID 6494663
N-[[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-N-cyclopropyl-3-fluorobenzamide
CID 51068388

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide?
The IUPAC name of N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide (CID 42328264) is N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide is COc1ccc(OC)c(-c2nc3c(C)cccc3cc2CN(C(=O)c2cccc(F)c2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide?
The InChIKey is YVJHNONZUBVOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN2O3/c1-18-6-4-7-19-14-21(17-32(23-10-11-23)29(33)20-8-5-9-22(30)15-20)28(31-27(18)19)25-16-24(34-2)12-13-26(25)35-3/h4-9,12-16,23H,10-11,17H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide?
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide has a molecular weight of 470.54 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 42328264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).