methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate

C30H25N3O3 — CID 18729745

IUPACmethyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(CNC(=O)c2cc(-c3ccc4ccccc4c3)nc3ccccc23)cc1
InChIInChI=1S/C30H25N3O3/c1-36-30(35)32-19-21-12-10-20(11-13-21)18-31-29(34)26-17-28(33-27-9-5-4-8-25(26)27)24-15-14-22-6-2-3-7-23(22)16-24/h2-17H,18-19H2,1H3,(H,31,34)(H,32,35)
InChIKeyORALUBUMYMTXKV-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.84
Rot. Bonds6

About methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate

methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate (PubChem CID 18729745) has the molecular formula C30H25N3O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
PubChem CID18729745
Molecular FormulaC30H25N3O3
Molecular Weight475.55 g/mol
Exact Mass475.19
IUPAC Namemethyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(CNC(=O)c2cc(-c3ccc4ccccc4c3)nc3ccccc23)cc1
InChIInChI=1S/C30H25N3O3/c1-36-30(35)32-19-21-12-10-20(11-13-21)18-31-29(34)26-17-28(33-27-9-5-4-8-25(26)27)24-15-14-22-6-2-3-7-23(22)16-24/h2-17H,18-19H2,1H3,(H,31,34)(H,32,35)
InChIKeyORALUBUMYMTXKV-UHFFFAOYSA-N
XLogP5.84
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[[4-[[(2-methylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 18729746
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-2-phenylquinoline-4-carboxamide
CID 17320376
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 4613486
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
N-[(3,5-dimethoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098754

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate (CID 18729745) is methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate is COC(=O)NCc1ccc(CNC(=O)c2cc(-c3ccc4ccccc4c3)nc3ccccc23)cc1.
What is the InChIKey of methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate?
The InChIKey is ORALUBUMYMTXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O3/c1-36-30(35)32-19-21-12-10-20(11-13-21)18-31-29(34)26-17-28(33-27-9-5-4-8-25(26)27)24-15-14-22-6-2-3-7-23(22)16-24/h2-17H,18-19H2,1H3,(H,31,34)(H,32,35).
What are the key properties of methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate?
methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate has a molecular weight of 475.55 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[[(2-naphthalen-2-ylquinoline-4-carbonyl)amino]methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 18729745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).