3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione

C25H28N6O4 — CID 168859118

IUPAC3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione
SMILESCc1nc2cccc(NCc3ccc(CN4CCOCC4)cn3)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C25H28N6O4/c1-16-28-20-4-2-3-19(23(20)25(34)31(16)21-7-8-22(32)29-24(21)33)27-14-18-6-5-17(13-26-18)15-30-9-11-35-12-10-30/h2-6,13,21,27H,7-12,14-15H2,1H3,(H,29,32,33)
InChIKeyJGHJMIVYRXZYJB-UHFFFAOYSA-N
MW476.54 g/mol
LogP1.52
Rot. Bonds6

About 3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione

3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione (PubChem CID 168859118) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is 3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione
PubChem CID168859118
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC Name3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione
SMILESCc1nc2cccc(NCc3ccc(CN4CCOCC4)cn3)c2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C25H28N6O4/c1-16-28-20-4-2-3-19(23(20)25(34)31(16)21-7-8-22(32)29-24(21)33)27-14-18-6-5-17(13-26-18)15-30-9-11-35-12-10-30/h2-6,13,21,27H,7-12,14-15H2,1H3,(H,29,32,33)
InChIKeyJGHJMIVYRXZYJB-UHFFFAOYSA-N
XLogP1.52
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[2-methyl-5-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-1-ynyl]-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 168859116
3-[5-[[4-[(4-ethoxy-4-methylpiperidin-1-yl)methyl]-3-methylphenyl]methylamino]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 156837223
3-[8-[[4-(azepan-1-ylmethyl)phenyl]methylamino]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 162728998
[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-5-yl]carbamoylmercury
CID 144668416
3-[5-[3-[4-(azepan-1-ylmethyl)phenyl]prop-1-ynyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 162729005
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
3-[4-oxo-5-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methylamino]quinazolin-3-yl]piperidine-2,6-dione
CID 156837203
3-[5-[2-[5-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]ethynyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 162728935
6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexyl carbamate
CID 175406178
3-[5-[6-(1-adamantylamino)hexylamino]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 169093683
3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione;4-[4-[[4-[[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]methyl]phenyl]methyl]piperazin-1-yl]-3-fluorobenzonitrile;3-fluoro-4-[4-[(4-formylphenyl)methyl]piperazin-1-yl]benzonitrile
CID 160543843
tert-butyl 6-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]amino]hexanoate
CID 167386080

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione (CID 168859118) is 3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione is Cc1nc2cccc(NCc3ccc(CN4CCOCC4)cn3)c2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione?
The InChIKey is JGHJMIVYRXZYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-16-28-20-4-2-3-19(23(20)25(34)31(16)21-7-8-22(32)29-24(21)33)27-14-18-6-5-17(13-26-18)15-30-9-11-35-12-10-30/h2-6,13,21,27H,7-12,14-15H2,1H3,(H,29,32,33).
What are the key properties of 3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione?
3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione has a molecular weight of 476.54 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]methylamino]-4-oxoquinazolin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 168859118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).