6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

C29H34N4O3 — CID 121394269

IUPAC6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCN1CCCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1
InChIInChI=1S/C29H34N4O3/c1-32-10-3-5-22(9-11-32)30-23-7-8-27-21(17-23)16-20-4-2-6-25(29(20)36-27)26-18-24(19-28(34)31-26)33-12-14-35-15-13-33/h2,4,6-8,17-19,22,30H,3,5,9-16H2,1H3,(H,31,34)
InChIKeyORDSIQKMMRNQOI-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.47
Rot. Bonds4

About 6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 121394269) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is 6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID121394269
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC Name6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCN1CCCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1
InChIInChI=1S/C29H34N4O3/c1-32-10-3-5-22(9-11-32)30-23-7-8-27-21(17-23)16-20-4-2-6-25(29(20)36-27)26-18-24(19-28(34)31-26)33-12-14-35-15-13-33/h2,4,6-8,17-19,22,30H,3,5,9-16H2,1H3,(H,31,34)
InChIKeyORDSIQKMMRNQOI-UHFFFAOYSA-N
XLogP4.47
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-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-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394968
6-(7-amino-9H-xanthen-4-yl)-4-morpholin-4-yl-1H-pyridin-2-one;tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate;6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 158190143
tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate
CID 121394579
4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121393955
4-morpholin-4-yl-6-[7-[(1-pyridin-3-ylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121395298
4-morpholin-4-yl-6-[7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121467771
6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393879
6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 162147273
6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393856
4-morpholin-4-yl-6-[7-[[1-(pyridin-3-ylmethyl)azetidin-3-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121395222
4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121394374
6-[7-[(5-methyl-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394784

Frequently Asked Questions

What is the IUPAC name of 6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 121394269) is 6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is CN1CCCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1.
What is the InChIKey of 6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is ORDSIQKMMRNQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-32-10-3-5-22(9-11-32)30-23-7-8-27-21(17-23)16-20-4-2-6-25(29(20)36-27)26-18-24(19-28(34)31-26)33-12-14-35-15-13-33/h2,4,6-8,17-19,22,30H,3,5,9-16H2,1H3,(H,31,34).
What are the key properties of 6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 486.62 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 121394269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).