N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide

C30H34N4O3 — CID 50992011

IUPACN-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
SMILESCN(CCN(CCCOc1ccc2c(ccc(=O)n2C)c1)Cc1ccncc1)C(=O)Cc1ccccc1
InChIInChI=1S/C30H34N4O3/c1-32(30(36)21-24-7-4-3-5-8-24)18-19-34(23-25-13-15-31-16-14-25)17-6-20-37-27-10-11-28-26(22-27)9-12-29(35)33(28)2/h3-5,7-16,22H,6,17-21,23H2,1-2H3
InChIKeyPEMDCGDAAOQVEE-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.91
Rot. Bonds12

About N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide

N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide (PubChem CID 50992011) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
PubChem CID50992011
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
SMILESCN(CCN(CCCOc1ccc2c(ccc(=O)n2C)c1)Cc1ccncc1)C(=O)Cc1ccccc1
InChIInChI=1S/C30H34N4O3/c1-32(30(36)21-24-7-4-3-5-8-24)18-19-34(23-25-13-15-31-16-14-25)17-6-20-37-27-10-11-28-26(22-27)9-12-29(35)33(28)2/h3-5,7-16,22H,6,17-21,23H2,1-2H3
InChIKeyPEMDCGDAAOQVEE-UHFFFAOYSA-N
XLogP3.91
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396290
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
5-(4-Methylpiperazin-1-Yl)-2-Phenylmethoxy-~{n}-Pyridin-3-Yl-Benzamide
CID 51357515
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
CID 70695162
2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
CID 134823957
3-[2-(4-aminophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052465
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
CID 23648325
1-(6-Methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-phenyl-1-pyridin-3-ylmethyl-urea
CID 646408
Ethyl 6-[3-[[isopropyl-[4-(4-pyridyl)benzoyl]amino]methyl]phenoxy]hexanoate
CID 70686323
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2985341
N-(6-methoxypyridin-3-yl)-3-phenoxybenzamide
CID 16295584

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide?
The IUPAC name of N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide (CID 50992011) is N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide is CN(CCN(CCCOc1ccc2c(ccc(=O)n2C)c1)Cc1ccncc1)C(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide?
The InChIKey is PEMDCGDAAOQVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-32(30(36)21-24-7-4-3-5-8-24)18-19-34(23-25-13-15-31-16-14-25)17-6-20-37-27-10-11-28-26(22-27)9-12-29(35)33(28)2/h3-5,7-16,22H,6,17-21,23H2,1-2H3.
What are the key properties of N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide?
N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide has a molecular weight of 498.63 g/mol, XLogP of 3.91, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropyl-(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 50992011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).