N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide

C24H18N4O3 — CID 166232237

IUPACN-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cc21
InChIInChI=1S/C24H18N4O3/c1-28-21-12-15(9-10-22(21)31-14-23(28)29)26-24(30)17-13-20(19-8-4-5-11-25-19)27-18-7-3-2-6-16(17)18/h2-13H,14H2,1H3,(H,26,30)
InChIKeyXJCMOPLLKYONPK-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.90
Rot. Bonds3

About N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 166232237) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID166232237
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC NameN-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cc21
InChIInChI=1S/C24H18N4O3/c1-28-21-12-15(9-10-22(21)31-14-23(28)29)26-24(30)17-13-20(19-8-4-5-11-25-19)27-18-7-3-2-6-16(17)18/h2-13H,14H2,1H3,(H,26,30)
InChIKeyXJCMOPLLKYONPK-UHFFFAOYSA-N
XLogP3.90
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 166232237) is N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide is CN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cc21.
What is the InChIKey of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is XJCMOPLLKYONPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-28-21-12-15(9-10-22(21)31-14-23(28)29)26-24(30)17-13-20(19-8-4-5-11-25-19)27-18-7-3-2-6-16(17)18/h2-13H,14H2,1H3,(H,26,30).
What are the key properties of N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 166232237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).