1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

C18H20ClN5O2 — CID 86860791

IUPAC1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CCN(c2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H20ClN5O2/c19-13-1-2-14-15(11-13)20-12-21-18(14)23-8-5-22(6-9-23)7-10-24-16(25)3-4-17(24)26/h1-2,11-12H,3-10H2
InChIKeyJNJSUSPGTISDRR-UHFFFAOYSA-N
MW373.84 g/mol
LogP1.55
Rot. Bonds4

About 1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 86860791) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID86860791
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CCN(c2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H20ClN5O2/c19-13-1-2-14-15(11-13)20-12-21-18(14)23-8-5-22(6-9-23)7-10-24-16(25)3-4-17(24)26/h1-2,11-12H,3-10H2
InChIKeyJNJSUSPGTISDRR-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline
CID 86933291
4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine
CID 87015234
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
CID 24742050
4-(7-chloroquinazolin-4-yl)piperazin-2-one
CID 24507988
2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 87015310
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
1-[4-(7-chloroquinazolin-4-yl)-2-methylpiperazin-1-yl]propan-1-one
CID 135188333
1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 126896197
2-[4-(7-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]benzonitrile
CID 87014827
1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 87014727
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 86860791) is 1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCN1CCN(c2ncnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is JNJSUSPGTISDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c19-13-1-2-14-15(11-13)20-12-21-18(14)23-8-5-22(6-9-23)7-10-24-16(25)3-4-17(24)26/h1-2,11-12H,3-10H2.
What are the key properties of 1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 373.84 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 86860791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).