[7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate

C29H28ClN5O5 — CID 118597235

IUPAC[7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c(CNC(=O)c2ccc(N3CCOCC3)nc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C29H28ClN5O5/c1-33(2)29(38)40-28-23(18-32-27(37)19-8-11-25(31-17-19)34-12-14-39-15-13-34)26(36)22-10-9-20(30)16-24(22)35(28)21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3,(H,32,37)
InChIKeyRJFCYIVZRPUGFG-UHFFFAOYSA-N
MW562.03 g/mol
LogP3.87
Rot. Bonds6

About [7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate

[7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate (PubChem CID 118597235) has the molecular formula C29H28ClN5O5 and a molecular weight of 562.03 g/mol. Its IUPAC name is [7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate
PubChem CID118597235
Molecular FormulaC29H28ClN5O5
Molecular Weight562.03 g/mol
Exact Mass561.18
IUPAC Name[7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c(CNC(=O)c2ccc(N3CCOCC3)nc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C29H28ClN5O5/c1-33(2)29(38)40-28-23(18-32-27(37)19-8-11-25(31-17-19)34-12-14-39-15-13-34)26(36)22-10-9-20(30)16-24(22)35(28)21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3,(H,32,37)
InChIKeyRJFCYIVZRPUGFG-UHFFFAOYSA-N
XLogP3.87
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.03
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate with MolForge

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Launch Full Analysis

Related Compounds

methyl [3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-yl] carbonate
CID 118597190
[7-chloro-3-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] methyl carbonate
CID 118597234
[1-[5-[[7-chloro-2-(dimethylcarbamoyl)-4-oxo-1-phenylquinolin-3-yl]methylcarbamoyl]-2-pyridinyl]piperidin-3-yl] 2,2,2-trifluoroacetate
CID 123383874
methyl 3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
CID 71208651
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(4-methylsulfonylpiperidin-1-yl)pyridine-3-carboxamide
CID 71217358
N-[(11-chloro-5-methyl-6,8-dioxoquinolino[1,2-a]quinoxalin-7-yl)methyl]-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 71229294
methyl 7-chloro-3-[[(4-methoxycarbonylbenzoyl)amino]methyl]-4-oxo-1-phenylquinoline-2-carboxylate
CID 71208523
N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 71208807
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 118601546
[7-chloro-3-[[methyl-(4-methylsulfonylbenzoyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] methyl carbonate
CID 118597138
N-[(1,3-diphenylpyrazol-4-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 24606874

Frequently Asked Questions

What is the IUPAC name of [7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate?
The IUPAC name of [7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate (CID 118597235) is [7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate?
The canonical SMILES for [7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1c(CNC(=O)c2ccc(N3CCOCC3)nc2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of [7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate?
The InChIKey is RJFCYIVZRPUGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN5O5/c1-33(2)29(38)40-28-23(18-32-27(37)19-8-11-25(31-17-19)34-12-14-39-15-13-34)26(36)22-10-9-20(30)16-24(22)35(28)21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3,(H,32,37).
What are the key properties of [7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate?
[7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate has a molecular weight of 562.03 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 118597235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).