(4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone

C24H25Cl2N5O2 — CID 66968301

IUPAC(4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone
SMILESCC1(O)CN(c2ncnc3cc(Cl)ccc23)CC1N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H25Cl2N5O2/c1-24(33)14-31(22-19-7-6-18(26)12-20(19)27-15-28-22)13-21(24)29-8-10-30(11-9-29)23(32)16-2-4-17(25)5-3-16/h2-7,12,15,21,33H,8-11,13-14H2,1H3
InChIKeyPHJOGELFGSQTME-UHFFFAOYSA-N
MW486.40 g/mol
LogP3.33
Rot. Bonds3

About (4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone (PubChem CID 66968301) has the molecular formula C24H25Cl2N5O2 and a molecular weight of 486.40 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone
PubChem CID66968301
Molecular FormulaC24H25Cl2N5O2
Molecular Weight486.40 g/mol
Exact Mass485.14
IUPAC Name(4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone
SMILESCC1(O)CN(c2ncnc3cc(Cl)ccc23)CC1N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H25Cl2N5O2/c1-24(33)14-31(22-19-7-6-18(26)12-20(19)27-15-28-22)13-21(24)29-8-10-30(11-9-29)23(32)16-2-4-17(25)5-3-16/h2-7,12,15,21,33H,8-11,13-14H2,1H3
InChIKeyPHJOGELFGSQTME-UHFFFAOYSA-N
XLogP3.33
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chlorophenyl)-[(3S)-3-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143257056
[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 133314829
(4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone
CID 68509311
[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842499
(4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone
CID 67392969
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 87015310
1-[4-(7-chloroquinazolin-4-yl)-2-methylpiperazin-1-yl]propan-1-one
CID 135188333
[4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 21062703
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778
[(3S)-3-[4-(6-chloroisoquinolin-1-yl)piperazin-1-yl]pyrrolidin-1-yl]-(4-chlorophenyl)methanone
CID 143257075
1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 86885508

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone (CID 66968301) is (4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone is CC1(O)CN(c2ncnc3cc(Cl)ccc23)CC1N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is PHJOGELFGSQTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O2/c1-24(33)14-31(22-19-7-6-18(26)12-20(19)27-15-28-22)13-21(24)29-8-10-30(11-9-29)23(32)16-2-4-17(25)5-3-16/h2-7,12,15,21,33H,8-11,13-14H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 486.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 66968301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).