N-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide

C24H23N3O4 — CID 22553200

IUPACN-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESCOc1ccccc1NC(=O)CCCN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C24H23N3O4/c1-30-19-12-6-5-11-18(19)26-21(28)14-8-16-27-23-20(13-7-15-25-23)31-22(24(27)29)17-9-3-2-4-10-17/h2-7,9-13,15,22H,8,14,16H2,1H3,(H,26,28)
InChIKeyPBIABPRVIYCMRG-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.98
Rot. Bonds7

About N-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide

N-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (PubChem CID 22553200) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
PubChem CID22553200
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESCOc1ccccc1NC(=O)CCCN1C(=O)C(c2ccccc2)Oc2cccnc21
InChIInChI=1S/C24H23N3O4/c1-30-19-12-6-5-11-18(19)26-21(28)14-8-16-27-23-20(13-7-15-25-23)31-22(24(27)29)17-9-3-2-4-10-17/h2-7,9-13,15,22H,8,14,16H2,1H3,(H,26,28)
InChIKeyPBIABPRVIYCMRG-UHFFFAOYSA-N
XLogP3.98
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Pyrido[2,3-d]pyrimidin-7-one deriv. 28
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6-((2R,5R)-2-methyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
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3-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
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(carbonyl-11C)WAY-100635
CID 449645
N-(2-methoxybenzyl)-2-methyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide (CID 22553200) is N-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is COc1ccccc1NC(=O)CCCN1C(=O)C(c2ccccc2)Oc2cccnc21.
What is the InChIKey of N-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The InChIKey is PBIABPRVIYCMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-30-19-12-6-5-11-18(19)26-21(28)14-8-16-27-23-20(13-7-15-25-23)31-22(24(27)29)17-9-3-2-4-10-17/h2-7,9-13,15,22H,8,14,16H2,1H3,(H,26,28).
What are the key properties of N-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
N-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide has a molecular weight of 417.47 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)butanamide is sourced from PubChem (CID 22553200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).