3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one

C17H21N5O2 — CID 126894874

IUPAC3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one
SMILESCOc1ncnc2ccc(N3CCN(C4CCNC4=O)CC3)cc12
InChIInChI=1S/C17H21N5O2/c1-24-17-13-10-12(2-3-14(13)19-11-20-17)21-6-8-22(9-7-21)15-4-5-18-16(15)23/h2-3,10-11,15H,4-9H2,1H3,(H,18,23)
InChIKeyMVPSABKJYSTOAN-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.65
Rot. Bonds3

About 3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one

3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 126894874) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID126894874
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one
SMILESCOc1ncnc2ccc(N3CCN(C4CCNC4=O)CC3)cc12
InChIInChI=1S/C17H21N5O2/c1-24-17-13-10-12(2-3-14(13)19-11-20-17)21-6-8-22(9-7-21)15-4-5-18-16(15)23/h2-3,10-11,15H,4-9H2,1H3,(H,18,23)
InChIKeyMVPSABKJYSTOAN-UHFFFAOYSA-N
XLogP0.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]pyrrolidin-2-one
CID 126896553
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one
CID 126895204
6-[4-(3-cyclopropylpyrazin-2-yl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894896
4-methoxy-6-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]quinazoline
CID 126894723
2-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126894717
4-methoxy-6-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126894689
3-cyclopropyl-5-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 126894905
3-(2,2-difluoroethyl)-7-[4-(2-oxopyrrolidin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126898190
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 126894591
4-methoxy-6-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazoline
CID 126894707
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
CID 126894851

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one (CID 126894874) is 3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one is COc1ncnc2ccc(N3CCN(C4CCNC4=O)CC3)cc12.
What is the InChIKey of 3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is MVPSABKJYSTOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-17-13-10-12(2-3-14(13)19-11-20-17)21-6-8-22(9-7-21)15-4-5-18-16(15)23/h2-3,10-11,15H,4-9H2,1H3,(H,18,23).
What are the key properties of 3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one?
3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 327.39 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 126894874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).