2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane

C23H29Cl2N3O2 — CID 145480952

IUPAC2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane
SMILESCC.CC.CNC(=O)Cc1cc(C)nc2c(OCc3c(Cl)cncc3Cl)cccc12
InChIInChI=1S/C19H17Cl2N3O2.2C2H6/c1-11-6-12(7-18(25)22-2)13-4-3-5-17(19(13)24-11)26-10-14-15(20)8-23-9-16(14)21;2*1-2/h3-6,8-9H,7,10H2,1-2H3,(H,22,25);2*1-2H3
InChIKeySFSZOFCTCRUJTQ-UHFFFAOYSA-N
MW450.41 g/mol
LogP6.16
Rot. Bonds5

About 2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane

2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane (PubChem CID 145480952) has the molecular formula C23H29Cl2N3O2 and a molecular weight of 450.41 g/mol. Its IUPAC name is 2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane.

Molecular Properties

Compound Name2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane
PubChem CID145480952
Molecular FormulaC23H29Cl2N3O2
Molecular Weight450.41 g/mol
Exact Mass449.16
IUPAC Name2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane
SMILESCC.CC.CNC(=O)Cc1cc(C)nc2c(OCc3c(Cl)cncc3Cl)cccc12
InChIInChI=1S/C19H17Cl2N3O2.2C2H6/c1-11-6-12(7-18(25)22-2)13-4-3-5-17(19(13)24-11)26-10-14-15(20)8-23-9-16(14)21;2*1-2/h3-6,8-9H,7,10H2,1-2H3,(H,22,25);2*1-2H3
InChIKeySFSZOFCTCRUJTQ-UHFFFAOYSA-N
XLogP6.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.41
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane with MolForge

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Launch Full Analysis

Related Compounds

(1E)-2-chloro-1-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylbuta-1,3-dien-1-amine
CID 88952789
2-[[4-[[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-2-methylquinolin-8-yl]oxymethyl]-5-chloro-3-pyridinyl]sulfanyl]-N-methylacetamide
CID 173489786
N-[[5-chloro-4-[[4-[ethenyl-[(Z)-prop-1-enyl]amino]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]butanamide
CID 89017954
8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinoline
CID 59484459
N-[[5-chloro-4-[[2-methyl-4-(3-methyl-1,2-oxazol-4-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]cyclohexanecarboxamide;ethane
CID 145481052
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide
CID 59484368
methyl 2-(8-ethoxy-2-methylquinolin-4-yl)acetate
CID 82575172
1-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]sulfanyl-1-ethenylsulfanyl-N-methylmethanimine
CID 145481005
N-[[5-chloro-4-[[4-[(1Z)-1-(dimethylamino)buta-1,3-dienyl]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-hydroxypropanamide
CID 89018007
1-[5-chloro-4-[[4-[(1Z)-1-(dimethylamino)buta-1,3-dienyl]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]ethanone
CID 89018047
8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methyl-N-(1-phenylethenyl)-N-[(Z)-prop-1-enyl]quinolin-4-amine
CID 89229064
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 89229012

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane?
The IUPAC name of 2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane (CID 145480952) is 2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane.
What is the SMILES notation for 2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane?
The canonical SMILES for 2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane is CC.CC.CNC(=O)Cc1cc(C)nc2c(OCc3c(Cl)cncc3Cl)cccc12.
What is the InChIKey of 2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane?
The InChIKey is SFSZOFCTCRUJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2.2C2H6/c1-11-6-12(7-18(25)22-2)13-4-3-5-17(19(13)24-11)26-10-14-15(20)8-23-9-16(14)21;2*1-2/h3-6,8-9H,7,10H2,1-2H3,(H,22,25);2*1-2H3.
What are the key properties of 2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane?
2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane has a molecular weight of 450.41 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(3,5-dichloro-4-pyridinyl)methoxy]-2-methylquinolin-4-yl]-N-methylacetamide;ethane is sourced from PubChem (CID 145480952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).