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

C27H37N5O3 — CID 22553205

IUPAC4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide
SMILESCCCN1CCN(CCCNC(=O)CCCN2C(=O)C(c3ccccc3)Oc3cccnc32)CC1
InChIInChI=1S/C27H37N5O3/c1-2-15-30-18-20-31(21-19-30)16-8-14-28-24(33)12-7-17-32-26-23(11-6-13-29-26)35-25(27(32)34)22-9-4-3-5-10-22/h3-6,9-11,13,25H,2,7-8,12,14-21H2,1H3,(H,28,33)
InChIKeyWNGSAKFLEWVVSW-UHFFFAOYSA-N
MW479.63 g/mol
LogP2.86
Rot. Bonds11

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

4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide (PubChem CID 22553205) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide
PubChem CID22553205
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC Name4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide
SMILESCCCN1CCN(CCCNC(=O)CCCN2C(=O)C(c3ccccc3)Oc3cccnc32)CC1
InChIInChI=1S/C27H37N5O3/c1-2-15-30-18-20-31(21-19-30)16-8-14-28-24(33)12-7-17-32-26-23(11-6-13-29-26)35-25(27(32)34)22-9-4-3-5-10-22/h3-6,9-11,13,25H,2,7-8,12,14-21H2,1H3,(H,28,33)
InChIKeyWNGSAKFLEWVVSW-UHFFFAOYSA-N
XLogP2.86
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methyl-4-pyridinyl)phenoxy]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
CID 122192868
1-[2-(2-Methylphenoxy)propanoyl]-4-(2-pyridinyl)piperazine
CID 2976964
N-(2-methoxybenzyl)-2-methyl-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 3847875
N-(3-methyl-2-pyridinyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 17395946
6-[[[1-[2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 15983430
7-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-1H-pyrido[3,4-b][1,4]oxazin-2-one
CID 54590901
6-((2R,5R)-2-methyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592009
6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592010
(R)-6-(2,2-dimethyl-5-phenylmorpholino)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 54592011
7-((2R,5R)-2-methyl-5-phenylmorpholino)-1H-pyrido[3,4-b][1,4]oxazin-2(3H)-one
CID 54592088
2-((2R,5R)-4-(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)-5-phenylmorpholin-2-yl)acetonitrile
CID 54592089
6-[(2R,5R)-5-(2-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 54592090

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide?
The IUPAC name of 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide (CID 22553205) is 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide.
What is the SMILES notation for 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide?
The canonical SMILES for 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide is CCCN1CCN(CCCNC(=O)CCCN2C(=O)C(c3ccccc3)Oc3cccnc32)CC1.
What is the InChIKey of 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide?
The InChIKey is WNGSAKFLEWVVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-2-15-30-18-20-31(21-19-30)16-8-14-28-24(33)12-7-17-32-26-23(11-6-13-29-26)35-25(27(32)34)22-9-4-3-5-10-22/h3-6,9-11,13,25H,2,7-8,12,14-21H2,1H3,(H,28,33).
What are the key properties of 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide?
4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide has a molecular weight of 479.63 g/mol, XLogP of 2.86, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide is sourced from PubChem (CID 22553205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).