(2-carbamoyl-6-phenoxyquinolin-3-yl) acetate

C18H14N2O4 — CID 174474043

IUPAC(2-carbamoyl-6-phenoxyquinolin-3-yl) acetate
SMILESCC(=O)Oc1cc2cc(Oc3ccccc3)ccc2nc1C(N)=O
InChIInChI=1S/C18H14N2O4/c1-11(21)23-16-10-12-9-14(24-13-5-3-2-4-6-13)7-8-15(12)20-17(16)18(19)22/h2-10H,1H3,(H2,19,22)
InChIKeyIJPCEOYRFSPODS-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.05
Rot. Bonds4

About (2-carbamoyl-6-phenoxyquinolin-3-yl) acetate

(2-carbamoyl-6-phenoxyquinolin-3-yl) acetate (PubChem CID 174474043) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is (2-carbamoyl-6-phenoxyquinolin-3-yl) acetate.

Molecular Properties

Compound Name(2-carbamoyl-6-phenoxyquinolin-3-yl) acetate
PubChem CID174474043
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name(2-carbamoyl-6-phenoxyquinolin-3-yl) acetate
SMILESCC(=O)Oc1cc2cc(Oc3ccccc3)ccc2nc1C(N)=O
InChIInChI=1S/C18H14N2O4/c1-11(21)23-16-10-12-9-14(24-13-5-3-2-4-6-13)7-8-15(12)20-17(16)18(19)22/h2-10H,1H3,(H2,19,22)
InChIKeyIJPCEOYRFSPODS-UHFFFAOYSA-N
XLogP3.05
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenoxy-3-phenylmethoxyquinoline-2-carboxylic acid
CID 19692180
(2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate
CID 58956897
phenoxybenzene;phenyl acetate
CID 159251324
5-phenoxy-1H-indole-2-carboxamide
CID 58720348
benzyl 2-[[6-(3-methoxyphenoxy)-3-phenylmethoxyquinoline-2-carbonyl]amino]acetate
CID 19692176
2-methyl-5-phenoxybenzamide;hydrochloride
CID 174534962
6-phenoxyquinazolin-2-amine
CID 151514344
[4-(3-acetyloxyphenoxy)phenyl] acetate
CID 23459901
1-(3-phenylmethoxy-6-propan-2-yloxyquinolin-2-yl)ethanone
CID 22446096
3-bromo-6-methoxyquinoline-2-carboxamide
CID 173087075
1-(6-methoxy-3-phenylmethoxyquinolin-2-yl)ethanone
CID 19692233
(2-methyl-6-phenoxyquinolin-3-yl)methanamine
CID 82246665

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-6-phenoxyquinolin-3-yl) acetate?
The IUPAC name of (2-carbamoyl-6-phenoxyquinolin-3-yl) acetate (CID 174474043) is (2-carbamoyl-6-phenoxyquinolin-3-yl) acetate.
What is the SMILES notation for (2-carbamoyl-6-phenoxyquinolin-3-yl) acetate?
The canonical SMILES for (2-carbamoyl-6-phenoxyquinolin-3-yl) acetate is CC(=O)Oc1cc2cc(Oc3ccccc3)ccc2nc1C(N)=O.
What is the InChIKey of (2-carbamoyl-6-phenoxyquinolin-3-yl) acetate?
The InChIKey is IJPCEOYRFSPODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-11(21)23-16-10-12-9-14(24-13-5-3-2-4-6-13)7-8-15(12)20-17(16)18(19)22/h2-10H,1H3,(H2,19,22).
What are the key properties of (2-carbamoyl-6-phenoxyquinolin-3-yl) acetate?
(2-carbamoyl-6-phenoxyquinolin-3-yl) acetate has a molecular weight of 322.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-6-phenoxyquinolin-3-yl) acetate is sourced from PubChem (CID 174474043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).