(4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone

C23H22ClF2N5O2 — CID 68509311

IUPAC(4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CC(O)C(N2CCN(c3ncnc4cc(F)c(F)cc34)CC2)C1
InChIInChI=1S/C23H22ClF2N5O2/c24-15-3-1-14(2-4-15)23(33)31-11-20(21(32)12-31)29-5-7-30(8-6-29)22-16-9-17(25)18(26)10-19(16)27-13-28-22/h1-4,9-10,13,20-21,32H,5-8,11-12H2
InChIKeyQYIMUOSSQFHSEK-UHFFFAOYSA-N
MW473.91 g/mol
LogP2.57
Rot. Bonds3

About (4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone

(4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 68509311) has the molecular formula C23H22ClF2N5O2 and a molecular weight of 473.91 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID68509311
Molecular FormulaC23H22ClF2N5O2
Molecular Weight473.91 g/mol
Exact Mass473.14
IUPAC Name(4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CC(O)C(N2CCN(c3ncnc4cc(F)c(F)cc34)CC2)C1
InChIInChI=1S/C23H22ClF2N5O2/c24-15-3-1-14(2-4-15)23(33)31-11-20(21(32)12-31)29-5-7-30(8-6-29)22-16-9-17(25)18(26)10-19(16)27-13-28-22/h1-4,9-10,13,20-21,32H,5-8,11-12H2
InChIKeyQYIMUOSSQFHSEK-UHFFFAOYSA-N
XLogP2.57
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.91
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chlorophenyl)-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone
CID 68513632
(4-chlorophenyl)-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone
CID 68510310
(4-chlorophenyl)-[(3S)-3-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143257056
4-(6,7-difluoroquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707660
[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842499
(4-chlorophenyl)-[(3R,4R)-3-[2-[(6,7-difluoroquinazolin-4-yl)-methylamino]ethyl-ethylamino]-4-hydroxypyrrolidin-1-yl]methanone
CID 70851063
(4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone
CID 67392969
(4-chlorophenyl)-[3-hydroxy-4-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 68510702
(4-chlorophenyl)-[4-[1-(4-chlorophenyl)-4-hydroxypyrrolidin-3-yl]piperazin-1-yl]methanone
CID 66968652
(4-chlorophenyl)-[4-(4-hydroxy-1-isoquinolin-1-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 66967931
(4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone
CID 66968301
(4-chlorophenyl)-[3-hydroxy-4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 68517530

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone (CID 68509311) is (4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CC(O)C(N2CCN(c3ncnc4cc(F)c(F)cc34)CC2)C1.
What is the InChIKey of (4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is QYIMUOSSQFHSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF2N5O2/c24-15-3-1-14(2-4-15)23(33)31-11-20(21(32)12-31)29-5-7-30(8-6-29)22-16-9-17(25)18(26)10-19(16)27-13-28-22/h1-4,9-10,13,20-21,32H,5-8,11-12H2.
What are the key properties of (4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone?
(4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 473.91 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 68509311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).