N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol

C41H43ClN8O5 — CID 161202215

IUPACN-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol
SMILESCc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CN(CC(O)CO)C(=O)C(C)C)c2n1.Cc1cc(-n2ccnc2)c2cccc(O)c2n1
InChIInChI=1S/C28H32ClN5O4.C13H11N3O/c1-17(2)28(37)34(14-20(36)15-35)13-19-11-30-12-24(29)23(19)16-38-26-7-5-6-21-22(10-18(3)32-27(21)26)25-8-9-31-33(25)4;1-9-7-11(16-6-5-14-8-16)10-3-2-4-12(17)13(10)15-9/h5-12,17,20,35-36H,13-16H2,1-4H3;2-8,17H,1H3
InChIKeyUVDAUQNXEAXXCK-UHFFFAOYSA-N
MW763.30 g/mol
LogP6.34
Rot. Bonds11

About N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol

N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol (PubChem CID 161202215) has the molecular formula C41H43ClN8O5 and a molecular weight of 763.30 g/mol. Its IUPAC name is N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol.

Molecular Properties

Compound NameN-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol
PubChem CID161202215
Molecular FormulaC41H43ClN8O5
Molecular Weight763.30 g/mol
Exact Mass762.30
IUPAC NameN-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol
SMILESCc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CN(CC(O)CO)C(=O)C(C)C)c2n1.Cc1cc(-n2ccnc2)c2cccc(O)c2n1
InChIInChI=1S/C28H32ClN5O4.C13H11N3O/c1-17(2)28(37)34(14-20(36)15-35)13-19-11-30-12-24(29)23(19)16-38-26-7-5-6-21-22(10-18(3)32-27(21)26)25-8-9-31-33(25)4;1-9-7-11(16-6-5-14-8-16)10-3-2-4-12(17)13(10)15-9/h5-12,17,20,35-36H,13-16H2,1-4H3;2-8,17H,1H3
InChIKeyUVDAUQNXEAXXCK-UHFFFAOYSA-N
XLogP6.34
TPSA164.54 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500763.30
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol?
The IUPAC name of N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol (CID 161202215) is N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol.
What is the SMILES notation for N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol?
The canonical SMILES for N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol is Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CN(CC(O)CO)C(=O)C(C)C)c2n1.Cc1cc(-n2ccnc2)c2cccc(O)c2n1.
What is the InChIKey of N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol?
The InChIKey is UVDAUQNXEAXXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O4.C13H11N3O/c1-17(2)28(37)34(14-20(36)15-35)13-19-11-30-12-24(29)23(19)16-38-26-7-5-6-21-22(10-18(3)32-27(21)26)25-8-9-31-33(25)4;1-9-7-11(16-6-5-14-8-16)10-3-2-4-12(17)13(10)15-9/h5-12,17,20,35-36H,13-16H2,1-4H3;2-8,17H,1H3.
What are the key properties of N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol?
N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol has a molecular weight of 763.30 g/mol, XLogP of 6.34, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]-N-(2,3-dihydroxypropyl)-2-methylpropanamide;4-imidazol-1-yl-2-methylquinolin-8-ol is sourced from PubChem (CID 161202215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).