4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C23H23N3O4 — CID 3613489

IUPAC4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1cc(C2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)ccc1O
InChIInChI=1S/C23H23N3O4/c1-13-20(23(29)26-19-8-3-4-11-24-19)21(14-9-10-16(27)18(12-14)30-2)22-15(25-13)6-5-7-17(22)28/h3-4,8-12,21,25,27H,5-7H2,1-2H3,(H,24,26,29)
InChIKeyPUWBURISCOOYRL-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.40
Rot. Bonds4

About 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 3613489) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID3613489
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1cc(C2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)ccc1O
InChIInChI=1S/C23H23N3O4/c1-13-20(23(29)26-19-8-3-4-11-24-19)21(14-9-10-16(27)18(12-14)30-2)22-15(25-13)6-5-7-17(22)28/h3-4,8-12,21,25,27H,5-7H2,1-2H3,(H,24,26,29)
InChIKeyPUWBURISCOOYRL-UHFFFAOYSA-N
XLogP3.40
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 3613489) is 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1cc(C2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is PUWBURISCOOYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-13-20(23(29)26-19-8-3-4-11-24-19)21(14-9-10-16(27)18(12-14)30-2)22-15(25-13)6-5-7-17(22)28/h3-4,8-12,21,25,27H,5-7H2,1-2H3,(H,24,26,29).
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3613489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).