6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C23H27N7O3 — CID 90732223

IUPAC6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2nncc(N3CCN(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1
InChIInChI=1S/C23H27N7O3/c1-32-17-3-4-19-18(12-17)20(14-25-28-19)30-10-8-29(9-11-30)7-6-24-13-16-2-5-21-23(26-16)27-22(31)15-33-21/h2-5,12,14,24H,6-11,13,15H2,1H3,(H,26,27,31)
InChIKeyJXIJQGZSJNJNCN-UHFFFAOYSA-N
MW449.52 g/mol
LogP1.28
Rot. Bonds7

About 6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 90732223) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID90732223
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc2nncc(N3CCN(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1
InChIInChI=1S/C23H27N7O3/c1-32-17-3-4-19-18(12-17)20(14-25-28-19)30-10-8-29(9-11-30)7-6-24-13-16-2-5-21-23(26-16)27-22(31)15-33-21/h2-5,12,14,24H,6-11,13,15H2,1H3,(H,26,27,31)
InChIKeyJXIJQGZSJNJNCN-UHFFFAOYSA-N
XLogP1.28
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[2-[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44536892
6-[[[1-[2-(7-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 15982151
6-[[[1-[2-(6-methoxy-3-oxo-1,4-benzoxazin-4-yl)ethyl]-2-oxopiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 15982154
6-[[[(3R,4S)-3-hydroxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 25008766
6-[[[2-[1-hydroxy-2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 146503229
6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11236645
6-[[3-[5-(8-fluoro-6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 69158646
but-2-enedioic acid;6-[[[(3S,4S)-4-hydroxy-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 68993659
6-[[[(3S,4R)-3-fluoro-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644115
6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)-1,4-diazepan-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44527617
6-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 71152864
2-fluoro-N-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]acetamide
CID 141263802

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 90732223) is 6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2nncc(N3CCN(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1.
What is the InChIKey of 6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is JXIJQGZSJNJNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-32-17-3-4-19-18(12-17)20(14-25-28-19)30-10-8-29(9-11-30)7-6-24-13-16-2-5-21-23(26-16)27-22(31)15-33-21/h2-5,12,14,24H,6-11,13,15H2,1H3,(H,26,27,31).
What are the key properties of 6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 449.52 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[4-(6-methoxycinnolin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 90732223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).