3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one

C18H15N3O2 — CID 19867709

IUPAC3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one
SMILESCOc1ccc2cc(-n3c(=O)[nH]c4ccccc43)cc(C)c2n1
InChIInChI=1S/C18H15N3O2/c1-11-9-13(10-12-7-8-16(23-2)20-17(11)12)21-15-6-4-3-5-14(15)19-18(21)22/h3-10H,1-2H3,(H,19,22)
InChIKeyPKLWYQKBJYCORK-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.18
Rot. Bonds2

About 3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one

3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one (PubChem CID 19867709) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one
PubChem CID19867709
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one
SMILESCOc1ccc2cc(-n3c(=O)[nH]c4ccccc43)cc(C)c2n1
InChIInChI=1S/C18H15N3O2/c1-11-9-13(10-12-7-8-16(23-2)20-17(11)12)21-15-6-4-3-5-14(15)19-18(21)22/h3-10H,1-2H3,(H,19,22)
InChIKeyPKLWYQKBJYCORK-UHFFFAOYSA-N
XLogP3.18
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one (CID 19867709) is 3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one is COc1ccc2cc(-n3c(=O)[nH]c4ccccc43)cc(C)c2n1.
What is the InChIKey of 3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one?
The InChIKey is PKLWYQKBJYCORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-9-13(10-12-7-8-16(23-2)20-17(11)12)21-15-6-4-3-5-14(15)19-18(21)22/h3-10H,1-2H3,(H,19,22).
What are the key properties of 3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one?
3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one has a molecular weight of 305.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-8-methylquinolin-6-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 19867709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).