2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide

C21H18Cl2N6O2 — CID 59484278

IUPAC2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cnc(NCC(N)=O)c3Cl)c2n1
InChIInChI=1S/C21H18Cl2N6O2/c1-12-7-16(29-6-5-25-11-29)13-3-2-4-17(20(13)28-12)31-10-14-15(22)8-26-21(19(14)23)27-9-18(24)30/h2-8,11H,9-10H2,1H3,(H2,24,30)(H,26,27)
InChIKeyLATBCMGVUHXUIV-UHFFFAOYSA-N
MW457.32 g/mol
LogP3.91
Rot. Bonds7

About 2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide

2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide (PubChem CID 59484278) has the molecular formula C21H18Cl2N6O2 and a molecular weight of 457.32 g/mol. Its IUPAC name is 2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound Name2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide
PubChem CID59484278
Molecular FormulaC21H18Cl2N6O2
Molecular Weight457.32 g/mol
Exact Mass456.09
IUPAC Name2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cnc(NCC(N)=O)c3Cl)c2n1
InChIInChI=1S/C21H18Cl2N6O2/c1-12-7-16(29-6-5-25-11-29)13-3-2-4-17(20(13)28-12)31-10-14-15(22)8-26-21(19(14)23)27-9-18(24)30/h2-8,11H,9-10H2,1H3,(H2,24,30)(H,26,27)
InChIKeyLATBCMGVUHXUIV-UHFFFAOYSA-N
XLogP3.91
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethylbutanamide
CID 59484368
N-[2-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-N-methylanilino]-2-oxoethyl]pyridine-4-carboxamide
CID 18704944
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2-ethyl-N-methylbutanamide
CID 59484045
3-[[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylmethyl]-1,3-thiazolidine-4-carboxamide
CID 57051975
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 59483968
8-[(2,4-dimethyl-3-pyridinyl)methoxy]-4-imidazol-1-yl-2-methylquinoline
CID 59483960
(2R)-1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonyl-2-methylpyrrolidin-1-ium-1-carboxylic acid
CID 57002860
8-[[3-chloro-5-(1-methylimidazol-2-yl)sulfanyl-4-pyridinyl]methoxy]-4-imidazol-1-yl-2-methylquinoline
CID 59484241
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide
CID 59484076
N-cyclopropyl-1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carboxamide
CID 18404311

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide?
The IUPAC name of 2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide (CID 59484278) is 2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide.
What is the SMILES notation for 2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide?
The canonical SMILES for 2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide is Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cnc(NCC(N)=O)c3Cl)c2n1.
What is the InChIKey of 2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide?
The InChIKey is LATBCMGVUHXUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N6O2/c1-12-7-16(29-6-5-25-11-29)13-3-2-4-17(20(13)28-12)31-10-14-15(22)8-26-21(19(14)23)27-9-18(24)30/h2-8,11H,9-10H2,1H3,(H2,24,30)(H,26,27).
What are the key properties of 2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide?
2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide has a molecular weight of 457.32 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 59484278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).