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

C24H18N4O3 — CID 167888413

IUPACN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cc2NC1=O
InChIInChI=1S/C24H18N4O3/c1-14-23(29)28-21-12-15(9-10-22(21)31-14)26-24(30)17-13-20(19-8-4-5-11-25-19)27-18-7-3-2-6-16(17)18/h2-14H,1H3,(H,26,30)(H,28,29)
InChIKeyCGGUNHQJUAUMDZ-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.27
Rot. Bonds3

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

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 167888413) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID167888413
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC NameN-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cc2NC1=O
InChIInChI=1S/C24H18N4O3/c1-14-23(29)28-21-12-15(9-10-22(21)31-14)26-24(30)17-13-20(19-8-4-5-11-25-19)27-18-7-3-2-6-16(17)18/h2-14H,1H3,(H,26,30)(H,28,29)
InChIKeyCGGUNHQJUAUMDZ-UHFFFAOYSA-N
XLogP4.27
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 167888413) is N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide is CC1Oc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cc2NC1=O.
What is the InChIKey of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is CGGUNHQJUAUMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-14-23(29)28-21-12-15(9-10-22(21)31-14)26-24(30)17-13-20(19-8-4-5-11-25-19)27-18-7-3-2-6-16(17)18/h2-14H,1H3,(H,26,30)(H,28,29).
What are the key properties of N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 167888413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).