(4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone

C24H24Cl2N4O2 — CID 67392969

IUPAC(4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C2CN(c3ncnc4cc(Cl)ccc34)CC2O)CC1
InChIInChI=1S/C24H24Cl2N4O2/c25-17-3-1-15(2-4-17)23(32)16-7-9-29(10-8-16)21-12-30(13-22(21)31)24-19-6-5-18(26)11-20(19)27-14-28-24/h1-6,11,14,16,21-22,31H,7-10,12-13H2
InChIKeyLXNFBXZFVGAOFR-UHFFFAOYSA-N
MW471.39 g/mol
LogP4.08
Rot. Bonds4

About (4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone

(4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone (PubChem CID 67392969) has the molecular formula C24H24Cl2N4O2 and a molecular weight of 471.39 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone
PubChem CID67392969
Molecular FormulaC24H24Cl2N4O2
Molecular Weight471.39 g/mol
Exact Mass470.13
IUPAC Name(4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C2CN(c3ncnc4cc(Cl)ccc34)CC2O)CC1
InChIInChI=1S/C24H24Cl2N4O2/c25-17-3-1-15(2-4-17)23(32)16-7-9-29(10-8-16)21-12-30(13-22(21)31)24-19-6-5-18(26)11-20(19)27-14-28-24/h1-6,11,14,16,21-22,31H,7-10,12-13H2
InChIKeyLXNFBXZFVGAOFR-UHFFFAOYSA-N
XLogP4.08
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
(4-chlorophenyl)-[(3S)-3-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143257056
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[7-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-3-ol
CID 66968560
4-(3,4-dihydroxypyrrolidin-1-yl)quinazoline-7-carboxylic acid
CID 106669846
(4-chlorophenyl)-[3-[4-(6,7-difluoroquinazolin-4-yl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]methanone
CID 68509311
(4-chlorophenyl)-[4-[1-(7-chloroquinazolin-4-yl)-4-hydroxy-4-methylpyrrolidin-3-yl]piperazin-1-yl]methanone
CID 66968301
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 24829708
2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 87015310
(4-chlorophenyl)-[4-(4-hydroxy-1-isoquinolin-1-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 66967931
1-[4-(7-chloroquinazolin-4-yl)-2-methylpiperazin-1-yl]propan-1-one
CID 135188333
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 86839632
4-[(3R,4R)-3-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]quinazoline-2-carboxylic acid
CID 11705706

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone (CID 67392969) is (4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(C2CN(c3ncnc4cc(Cl)ccc34)CC2O)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone?
The InChIKey is LXNFBXZFVGAOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2/c25-17-3-1-15(2-4-17)23(32)16-7-9-29(10-8-16)21-12-30(13-22(21)31)24-19-6-5-18(26)11-20(19)27-14-28-24/h1-6,11,14,16,21-22,31H,7-10,12-13H2.
What are the key properties of (4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone has a molecular weight of 471.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 67392969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).