methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate

C25H23ClN2O3 — CID 46771711

IUPACmethyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1
InChIInChI=1S/C25H23ClN2O3/c1-31-25(30)20-12-13-21(26)22(15-20)27-24(29)19-10-8-17(9-11-19)16-28-14-4-6-18-5-2-3-7-23(18)28/h2-3,5,7-13,15H,4,6,14,16H2,1H3,(H,27,29)
InChIKeyRVLMXUBLJWXNBP-UHFFFAOYSA-N
MW434.92 g/mol
LogP5.33
Rot. Bonds5

About methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate

methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate (PubChem CID 46771711) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
PubChem CID46771711
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Namemethyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1
InChIInChI=1S/C25H23ClN2O3/c1-31-25(30)20-12-13-21(26)22(15-20)27-24(29)19-10-8-17(9-11-19)16-28-14-4-6-18-5-2-3-7-23(18)28/h2-3,5,7-13,15H,4,6,14,16H2,1H3,(H,27,29)
InChIKeyRVLMXUBLJWXNBP-UHFFFAOYSA-N
XLogP5.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate with MolForge

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Related Compounds

ethyl 3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]-4-methylbenzoate
CID 92673369
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99950871
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
CID 92677668
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
N-(2,4-difluorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 38005181
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
CID 46763220
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 92685926
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate (CID 46771711) is methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1.
What is the InChIKey of methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate?
The InChIKey is RVLMXUBLJWXNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-31-25(30)20-12-13-21(26)22(15-20)27-24(29)19-10-8-17(9-11-19)16-28-14-4-6-18-5-2-3-7-23(18)28/h2-3,5,7-13,15H,4,6,14,16H2,1H3,(H,27,29).
What are the key properties of methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate?
methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate has a molecular weight of 434.92 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 46771711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).