2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide

C21H36Cl2N4O2 — CID 140882615

IUPAC2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide
SMILESO=C(CC1CCN(C2NCNC3CC(Cl)C(C4CCC(Cl)CC4)CC32)CC1)NO
InChIInChI=1S/C21H36Cl2N4O2/c22-15-3-1-14(2-4-15)16-10-17-19(11-18(16)23)24-12-25-21(17)27-7-5-13(6-8-27)9-20(28)26-29/h13-19,21,24-25,29H,1-12H2,(H,26,28)
InChIKeyCBDSWXDQKYXKIW-UHFFFAOYSA-N
MW447.45 g/mol
LogP2.87
Rot. Bonds4

About 2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide

2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide (PubChem CID 140882615) has the molecular formula C21H36Cl2N4O2 and a molecular weight of 447.45 g/mol. Its IUPAC name is 2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide
PubChem CID140882615
Molecular FormulaC21H36Cl2N4O2
Molecular Weight447.45 g/mol
Exact Mass446.22
IUPAC Name2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide
SMILESO=C(CC1CCN(C2NCNC3CC(Cl)C(C4CCC(Cl)CC4)CC32)CC1)NO
InChIInChI=1S/C21H36Cl2N4O2/c22-15-3-1-14(2-4-15)16-10-17-19(11-18(16)23)24-12-25-21(17)27-7-5-13(6-8-27)9-20(28)26-29/h13-19,21,24-25,29H,1-12H2,(H,26,28)
InChIKeyCBDSWXDQKYXKIW-UHFFFAOYSA-N
XLogP2.87
TPSA76.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide with MolForge

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Related Compounds

1-(2-aminoacetyl)-4-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazine-2-carbonitrile
CID 140882620
3-[4-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-2-cyanopiperazin-1-yl]propanamide
CID 140882613
2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide
CID 54583088
2-(azetidin-3-yl)-N-hydroxyacetamide
CID 64611037
2-(4-chlorocyclohexyl)acetyl chloride
CID 19428388
2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide
CID 168830450
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
2-[1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 119331793
N-[(2-chlorocyclohexyl)methyl]-2-cycloheptylacetamide
CID 114459062
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-chlorocyclohexyl)methyl]acetamide
CID 106133993

Frequently Asked Questions

What is the IUPAC name of 2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide (CID 140882615) is 2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide is O=C(CC1CCN(C2NCNC3CC(Cl)C(C4CCC(Cl)CC4)CC32)CC1)NO.
What is the InChIKey of 2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide?
The InChIKey is CBDSWXDQKYXKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36Cl2N4O2/c22-15-3-1-14(2-4-15)16-10-17-19(11-18(16)23)24-12-25-21(17)27-7-5-13(6-8-27)9-20(28)26-29/h13-19,21,24-25,29H,1-12H2,(H,26,28).
What are the key properties of 2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide?
2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide has a molecular weight of 447.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperidin-4-yl]-N-hydroxyacetamide is sourced from PubChem (CID 140882615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).