1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide

C22H17N3O3 — CID 19959069

IUPAC1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
SMILESCc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C22H17N3O3/c1-13-10-16(26)3-5-19(13)25-12-18(22(23)28)21(27)17-4-2-15(11-20(17)25)14-6-8-24-9-7-14/h2-12,26H,1H3,(H2,23,28)
InChIKeyXOVPCPRZRHQFBI-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.17
Rot. Bonds3

About 1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide

1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide (PubChem CID 19959069) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
PubChem CID19959069
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
SMILESCc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C22H17N3O3/c1-13-10-16(26)3-5-19(13)25-12-18(22(23)28)21(27)17-4-2-15(11-20(17)25)14-6-8-24-9-7-14/h2-12,26H,1H3,(H2,23,28)
InChIKeyXOVPCPRZRHQFBI-UHFFFAOYSA-N
XLogP3.17
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide?
The IUPAC name of 1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide (CID 19959069) is 1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide.
What is the SMILES notation for 1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide?
The canonical SMILES for 1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide is Cc1cc(O)ccc1-n1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide?
The InChIKey is XOVPCPRZRHQFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-13-10-16(26)3-5-19(13)25-12-18(22(23)28)21(27)17-4-2-15(11-20(17)25)14-6-8-24-9-7-14/h2-12,26H,1H3,(H2,23,28).
What are the key properties of 1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide?
1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide is sourced from PubChem (CID 19959069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).