1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one

C26H19ClF3N5O2 — CID 59483958

IUPAC1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3Cn3ccc(C(F)(F)F)cc3=O)c2n1
InChIInChI=1S/C26H19ClF3N5O2/c1-16-9-22(35-8-6-31-15-35)19-3-2-4-23(25(19)33-16)37-14-20-17(11-32-12-21(20)27)13-34-7-5-18(10-24(34)36)26(28,29)30/h2-12,15H,13-14H2,1H3
InChIKeyLQZSMWIOKFBSFU-UHFFFAOYSA-N
MW525.92 g/mol
LogP5.59
Rot. Bonds6

About 1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one

1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one (PubChem CID 59483958) has the molecular formula C26H19ClF3N5O2 and a molecular weight of 525.92 g/mol. Its IUPAC name is 1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one
PubChem CID59483958
Molecular FormulaC26H19ClF3N5O2
Molecular Weight525.92 g/mol
Exact Mass525.12
IUPAC Name1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3Cn3ccc(C(F)(F)F)cc3=O)c2n1
InChIInChI=1S/C26H19ClF3N5O2/c1-16-9-22(35-8-6-31-15-35)19-3-2-4-23(25(19)33-16)37-14-20-17(11-32-12-21(20)27)13-34-7-5-18(10-24(34)36)26(28,29)30/h2-12,15H,13-14H2,1H3
InChIKeyLQZSMWIOKFBSFU-UHFFFAOYSA-N
XLogP5.59
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.92
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one (CID 59483958) is 1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one is Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3Cn3ccc(C(F)(F)F)cc3=O)c2n1.
What is the InChIKey of 1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is LQZSMWIOKFBSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClF3N5O2/c1-16-9-22(35-8-6-31-15-35)19-3-2-4-23(25(19)33-16)37-14-20-17(11-32-12-21(20)27)13-34-7-5-18(10-24(34)36)26(28,29)30/h2-12,15H,13-14H2,1H3.
What are the key properties of 1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one?
1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 525.92 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 59483958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).