1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one

C12H10ClN3O2 — CID 168704052

IUPAC1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C12H10ClN3O2/c13-12-14-9-4-2-1-3-8(9)11(15-12)16-6-7(17)5-10(16)18/h1-4,7,17H,5-6H2
InChIKeyMIHVQXNMGMKQFA-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.38
Rot. Bonds1

About 1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one

1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168704052) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168704052
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nc(Cl)nc2ccccc12
InChIInChI=1S/C12H10ClN3O2/c13-12-14-9-4-2-1-3-8(9)11(15-12)16-6-7(17)5-10(16)18/h1-4,7,17H,5-6H2
InChIKeyMIHVQXNMGMKQFA-UHFFFAOYSA-N
XLogP1.38
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one
CID 168689948
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704050
2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline
CID 103536646
4-(2-chloroquinazolin-4-yl)piperazine-2,6-dione
CID 66063785
S-[1-(2-aminoquinazolin-4-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707385
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
4-hydroxy-1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168703715
1-(6-bromo-2-chloroquinazolin-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715841
2-chloro-4-[(3S)-3-methylpiperidin-1-yl]quinazoline
CID 42149941
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one (CID 168704052) is 1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1nc(Cl)nc2ccccc12.
What is the InChIKey of 1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is MIHVQXNMGMKQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-12-14-9-4-2-1-3-8(9)11(15-12)16-6-7(17)5-10(16)18/h1-4,7,17H,5-6H2.
What are the key properties of 1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one?
1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 263.68 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168704052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).