4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide

C30H27N5O5 — CID 70036801

IUPAC4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide
SMILESCc1cc(CCOc2ccc(C(=O)NCc3ccnc(C4(C)C(=O)NC(=O)NC4=O)c3)cc2)c2ccccc2n1
InChIInChI=1S/C30H27N5O5/c1-18-15-21(23-5-3-4-6-24(23)33-18)12-14-40-22-9-7-20(8-10-22)26(36)32-17-19-11-13-31-25(16-19)30(2)27(37)34-29(39)35-28(30)38/h3-11,13,15-16H,12,14,17H2,1-2H3,(H,32,36)(H2,34,35,37,38,39)
InChIKeyMYODFXDCSPDUOZ-UHFFFAOYSA-N
MW537.58 g/mol
LogP3.11
Rot. Bonds8

About 4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide

4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide (PubChem CID 70036801) has the molecular formula C30H27N5O5 and a molecular weight of 537.58 g/mol. Its IUPAC name is 4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide
PubChem CID70036801
Molecular FormulaC30H27N5O5
Molecular Weight537.58 g/mol
Exact Mass537.20
IUPAC Name4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide
SMILESCc1cc(CCOc2ccc(C(=O)NCc3ccnc(C4(C)C(=O)NC(=O)NC4=O)c3)cc2)c2ccccc2n1
InChIInChI=1S/C30H27N5O5/c1-18-15-21(23-5-3-4-6-24(23)33-18)12-14-40-22-9-7-20(8-10-22)26(36)32-17-19-11-13-31-25(16-19)30(2)27(37)34-29(39)35-28(30)38/h3-11,13,15-16H,12,14,17H2,1-2H3,(H,32,36)(H2,34,35,37,38,39)
InChIKeyMYODFXDCSPDUOZ-UHFFFAOYSA-N
XLogP3.11
TPSA139.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.58
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-[[5-(1-methylpiperidin-4-yl)-2,4,6-trioxo-1,3-diazinan-5-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10218128
2-amino-2-(hydroxymethyl)propane-1,3-diol;N-[[5-(4-methylpiperazin-1-yl)-2,4,6-trioxo-1,3-diazinan-5-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 70036737
4-methoxy-N-(quinolin-4-ylmethyl)benzamide
CID 110734220
N-[(5S,9R)-2,4-dioxo-7-(pyridin-4-ylmethyl)-1,3,7-triazaspiro[4.4]nonan-9-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 68897152
N-[2-(2,2-dimethylpropanoyl)-6,8,10-trioxo-2,7,9-triazaspiro[4.5]decan-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10311947
2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid
CID 22032786
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
N-[(5S,9R)-2,4-dioxo-7-(pyridine-4-carbonyl)-1,3,7-triazaspiro[4.4]nonan-9-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 68893375
N-(2,4-dioxo-9-oxa-1,3-diazaspiro[4.5]decan-6-yl)-4-[(2-methylquinolin-4-yl)methyl]benzamide
CID 10203887
N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 143650486
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907236

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide?
The IUPAC name of 4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide (CID 70036801) is 4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide is Cc1cc(CCOc2ccc(C(=O)NCc3ccnc(C4(C)C(=O)NC(=O)NC4=O)c3)cc2)c2ccccc2n1.
What is the InChIKey of 4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide?
The InChIKey is MYODFXDCSPDUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O5/c1-18-15-21(23-5-3-4-6-24(23)33-18)12-14-40-22-9-7-20(8-10-22)26(36)32-17-19-11-13-31-25(16-19)30(2)27(37)34-29(39)35-28(30)38/h3-11,13,15-16H,12,14,17H2,1-2H3,(H,32,36)(H2,34,35,37,38,39).
What are the key properties of 4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide?
4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide has a molecular weight of 537.58 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylquinolin-4-yl)ethoxy]-N-[[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)-4-pyridinyl]methyl]benzamide is sourced from PubChem (CID 70036801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).