6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one

C19H16ClN3O2 — CID 142993430

IUPAC6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one
SMILESC=C(ON=C(C)C)c1c(-c2ccccn2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C19H16ClN3O2/c1-11(2)23-25-12(3)17-18(16-6-4-5-9-21-16)14-10-13(20)7-8-15(14)22-19(17)24/h4-10H,3H2,1-2H3,(H,22,24)
InChIKeyVDBQXQFTQCURMY-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.63
Rot. Bonds4

About 6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one

6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one (PubChem CID 142993430) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one
PubChem CID142993430
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one
SMILESC=C(ON=C(C)C)c1c(-c2ccccn2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C19H16ClN3O2/c1-11(2)23-25-12(3)17-18(16-6-4-5-9-21-16)14-10-13(20)7-8-15(14)22-19(17)24/h4-10H,3H2,1-2H3,(H,22,24)
InChIKeyVDBQXQFTQCURMY-UHFFFAOYSA-N
XLogP4.63
TPSA67.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one (CID 142993430) is 6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one is C=C(ON=C(C)C)c1c(-c2ccccn2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one?
The InChIKey is VDBQXQFTQCURMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-11(2)23-25-12(3)17-18(16-6-4-5-9-21-16)14-10-13(20)7-8-15(14)22-19(17)24/h4-10H,3H2,1-2H3,(H,22,24).
What are the key properties of 6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one?
6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one has a molecular weight of 353.81 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(propan-2-ylideneamino)oxyethenyl]-4-pyridin-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 142993430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).