1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione

C23H22N4O2 — CID 57434941

IUPAC1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1cccc(-c2ccc3ncnc(N4CCCC4)c3c2)c1
InChIInChI=1S/C23H22N4O2/c28-21-8-9-22(29)27(21)14-16-4-3-5-17(12-16)18-6-7-20-19(13-18)23(25-15-24-20)26-10-1-2-11-26/h3-7,12-13,15H,1-2,8-11,14H2
InChIKeyRVZAWSCUZPVDBA-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.55
Rot. Bonds4

About 1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione

1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 57434941) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID57434941
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1cccc(-c2ccc3ncnc(N4CCCC4)c3c2)c1
InChIInChI=1S/C23H22N4O2/c28-21-8-9-22(29)27(21)14-16-4-3-5-17(12-16)18-6-7-20-19(13-18)23(25-15-24-20)26-10-1-2-11-26/h3-7,12-13,15H,1-2,8-11,14H2
InChIKeyRVZAWSCUZPVDBA-UHFFFAOYSA-N
XLogP3.55
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475
pyrazin-2-yl N-cyclopropyl-N-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]carbamate
CID 24994261
8-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
CID 57435027
1-[[3-[4-(cyclopropylamino)quinazolin-6-yl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 57435013
6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
CID 72877134
4-(azepan-1-yl)quinazoline
CID 5207391
1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 126896197
4-(4-benzylpiperazin-1-yl)-6-nitroquinazoline
CID 3155791
N-(2-methylpropyl)-N-[[3-(4-morpholin-4-ylquinazolin-6-yl)phenyl]methyl]pyridine-2-carboxamide
CID 68942535
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
4-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]benzoic acid
CID 39820555

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione (CID 57434941) is 1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1cccc(-c2ccc3ncnc(N4CCCC4)c3c2)c1.
What is the InChIKey of 1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is RVZAWSCUZPVDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-21-8-9-22(29)27(21)14-16-4-3-5-17(12-16)18-6-7-20-19(13-18)23(25-15-24-20)26-10-1-2-11-26/h3-7,12-13,15H,1-2,8-11,14H2.
What are the key properties of 1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione?
1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 386.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 57434941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).