1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one

C22H30N6O — CID 126896197

IUPAC1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C22H30N6O/c29-21-4-3-9-27(21)15-12-25-10-13-26(14-11-25)18-5-6-20-19(16-18)22(24-17-23-20)28-7-1-2-8-28/h5-6,16-17H,1-4,7-15H2
InChIKeyZJSUIUQHKTYSDT-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.97
Rot. Bonds5

About 1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 126896197) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID126896197
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C22H30N6O/c29-21-4-3-9-27(21)15-12-25-10-13-26(14-11-25)18-5-6-20-19(16-18)22(24-17-23-20)28-7-1-2-8-28/h5-6,16-17H,1-4,7-15H2
InChIKeyZJSUIUQHKTYSDT-UHFFFAOYSA-N
XLogP1.97
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]ethyl]azepan-2-one
CID 126895890
4-methyl-6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
CID 126896199
7-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]azepan-2-one
CID 126896117
6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896083
6-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-4-pyrrolidin-1-ylquinazoline
CID 126896112
5-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126896177
4-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 126896178
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 118727897
6-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-3-one
CID 126896200
cyclopropyl-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methanone
CID 126896004
3-cyclopentyl-7-[4-[2-(2-oxopiperidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126898464
1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one (CID 126896197) is 1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCN1CCN(c2ccc3ncnc(N4CCCC4)c3c2)CC1.
What is the InChIKey of 1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is ZJSUIUQHKTYSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c29-21-4-3-9-27(21)15-12-25-10-13-26(14-11-25)18-5-6-20-19(16-18)22(24-17-23-20)28-7-1-2-8-28/h5-6,16-17H,1-4,7-15H2.
What are the key properties of 1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 394.52 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 126896197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).