4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one

C26H18ClN3O2 — CID 70149602

IUPAC4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one
SMILESO=c1cc(-c2cccc(Cl)c2)c2ccccc2n1C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C26H18ClN3O2/c27-21-9-3-6-18(14-21)23-15-25(31)30(24-11-2-1-10-22(23)24)26(32,19-7-4-12-28-16-19)20-8-5-13-29-17-20/h1-17,32H
InChIKeyQQXABFLSAXJKCG-UHFFFAOYSA-N
MW439.90 g/mol
LogP4.85
Rot. Bonds4

About 4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one

4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one (PubChem CID 70149602) has the molecular formula C26H18ClN3O2 and a molecular weight of 439.90 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one
PubChem CID70149602
Molecular FormulaC26H18ClN3O2
Molecular Weight439.90 g/mol
Exact Mass439.11
IUPAC Name4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one
SMILESO=c1cc(-c2cccc(Cl)c2)c2ccccc2n1C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C26H18ClN3O2/c27-21-9-3-6-18(14-21)23-15-25(31)30(24-11-2-1-10-22(23)24)26(32,19-7-4-12-28-16-19)20-8-5-13-29-17-20/h1-17,32H
InChIKeyQQXABFLSAXJKCG-UHFFFAOYSA-N
XLogP4.85
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one (CID 70149602) is 4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one is O=c1cc(-c2cccc(Cl)c2)c2ccccc2n1C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one?
The InChIKey is QQXABFLSAXJKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O2/c27-21-9-3-6-18(14-21)23-15-25(31)30(24-11-2-1-10-22(23)24)26(32,19-7-4-12-28-16-19)20-8-5-13-29-17-20/h1-17,32H.
What are the key properties of 4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one?
4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one has a molecular weight of 439.90 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one is sourced from PubChem (CID 70149602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).