N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide

C26H28ClN5O2 — CID 59484368

IUPACN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cncc(Cl)c1COc1cccc2c(-n3ccnc3)cc(C)nc12
InChIInChI=1S/C26H28ClN5O2/c1-4-18(5-2)26(33)30-13-19-12-29-14-22(27)21(19)15-34-24-8-6-7-20-23(32-10-9-28-16-32)11-17(3)31-25(20)24/h6-12,14,16,18H,4-5,13,15H2,1-3H3,(H,30,33)
InChIKeyCPQARQYFGYGJOL-UHFFFAOYSA-N
MW478.00 g/mol
LogP5.41
Rot. Bonds9

About N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide

N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide (PubChem CID 59484368) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide
PubChem CID59484368
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC NameN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1cncc(Cl)c1COc1cccc2c(-n3ccnc3)cc(C)nc12
InChIInChI=1S/C26H28ClN5O2/c1-4-18(5-2)26(33)30-13-19-12-29-14-22(27)21(19)15-34-24-8-6-7-20-23(32-10-9-28-16-32)11-17(3)31-25(20)24/h6-12,14,16,18H,4-5,13,15H2,1-3H3,(H,30,33)
InChIKeyCPQARQYFGYGJOL-UHFFFAOYSA-N
XLogP5.41
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.00
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide
CID 59484045
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 59483968
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide
CID 59484076
(3R)-1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 59484179
2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide
CID 59484278
8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
CID 59484241
N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]propanamide
CID 56977731
2-acetamido-N-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 18704953
N-[[5-chloro-4-[[4-[(1Z)-1-(dimethylamino)buta-1,3-dienyl]-2-methylquinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-2-hydroxypropanamide
CID 89018007
N-[2-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]pyridine-4-carboxamide
CID 18704944
8-[(2,4-dimethyl-3-pyridinyl)methoxy]-4-imidazol-1-yl-2-methylquinoline
CID 59483960
8-[[3-chloro-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
CID 59484396

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide?
The IUPAC name of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide (CID 59484368) is N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide?
The canonical SMILES for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1cncc(Cl)c1COc1cccc2c(-n3ccnc3)cc(C)nc12.
What is the InChIKey of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide?
The InChIKey is CPQARQYFGYGJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2/c1-4-18(5-2)26(33)30-13-19-12-29-14-22(27)21(19)15-34-24-8-6-7-20-23(32-10-9-28-16-32)11-17(3)31-25(20)24/h6-12,14,16,18H,4-5,13,15H2,1-3H3,(H,30,33).
What are the key properties of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide?
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide has a molecular weight of 478.00 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide is sourced from PubChem (CID 59484368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).