3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione

C23H23ClN4O4 — CID 129120524

IUPAC3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
SMILESCc1nc2ccc(CNC(O)Cc3ccc(Cl)cc3)cc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C23H23ClN4O4/c1-13-26-18-7-4-15(12-25-21(30)11-14-2-5-16(24)6-3-14)10-17(18)23(32)28(13)19-8-9-20(29)27-22(19)31/h2-7,10,19,21,25,30H,8-9,11-12H2,1H3,(H,27,29,31)
InChIKeyQMVJVJZUCGLMAV-UHFFFAOYSA-N
MW454.91 g/mol
LogP1.99
Rot. Bonds6

About 3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione

3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione (PubChem CID 129120524) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is 3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
PubChem CID129120524
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC Name3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
SMILESCc1nc2ccc(CNC(O)Cc3ccc(Cl)cc3)cc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C23H23ClN4O4/c1-13-26-18-7-4-15(12-25-21(30)11-14-2-5-16(24)6-3-14)10-17(18)23(32)28(13)19-8-9-20(29)27-22(19)31/h2-7,10,19,21,25,30H,8-9,11-12H2,1H3,(H,27,29,31)
InChIKeyQMVJVJZUCGLMAV-UHFFFAOYSA-N
XLogP1.99
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-N-[[3-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343768
2-(4-chlorophenyl)-N-[[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343767
3-[6-[[(4-chloroanilino)methylamino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 123897363
2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 166818510
1-(3-chloro-4-methylphenyl)-3-[[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]urea
CID 86344128
2-(4-chlorophenyl)-N-[[3-[(3S)-3-deuterio-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86342620
3-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235872
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
3-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)azepane-2,7-dione
CID 166818482
3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 167418527
3,4-dichloro-N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]benzamide;N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethyl)benzamide
CID 159851508
3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 68728143

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione (CID 129120524) is 3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione is Cc1nc2ccc(CNC(O)Cc3ccc(Cl)cc3)cc2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione?
The InChIKey is QMVJVJZUCGLMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c1-13-26-18-7-4-15(12-25-21(30)11-14-2-5-16(24)6-3-14)10-17(18)23(32)28(13)19-8-9-20(29)27-22(19)31/h2-7,10,19,21,25,30H,8-9,11-12H2,1H3,(H,27,29,31).
What are the key properties of 3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione?
3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione has a molecular weight of 454.91 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[[2-(4-chlorophenyl)-1-hydroxyethyl]amino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 129120524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).