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

C20H34Cl2N4O2 — CID 140882614

IUPAC1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide
SMILESO=C(NO)C1CCCN(C2NCNC3CC(Cl)C(C4CCC(Cl)CC4)CC32)C1
InChIInChI=1S/C20H34Cl2N4O2/c21-14-5-3-12(4-6-14)15-8-16-18(9-17(15)22)23-11-24-19(16)26-7-1-2-13(10-26)20(27)25-28/h12-19,23-24,28H,1-11H2,(H,25,27)
InChIKeyVOSOECLEOQSSJV-UHFFFAOYSA-N
MW433.42 g/mol
LogP2.48
Rot. Bonds3

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

1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide (PubChem CID 140882614) has the molecular formula C20H34Cl2N4O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is 1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide
PubChem CID140882614
Molecular FormulaC20H34Cl2N4O2
Molecular Weight433.42 g/mol
Exact Mass432.21
IUPAC Name1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide
SMILESO=C(NO)C1CCCN(C2NCNC3CC(Cl)C(C4CCC(Cl)CC4)CC32)C1
InChIInChI=1S/C20H34Cl2N4O2/c21-14-5-3-12(4-6-14)15-8-16-18(9-17(15)22)23-11-24-19(16)26-7-1-2-13(10-26)20(27)25-28/h12-19,23-24,28H,1-11H2,(H,25,27)
InChIKeyVOSOECLEOQSSJV-UHFFFAOYSA-N
XLogP2.48
TPSA76.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 52.48
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide (CID 140882614) is 1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide is O=C(NO)C1CCCN(C2NCNC3CC(Cl)C(C4CCC(Cl)CC4)CC32)C1.
What is the InChIKey of 1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide?
The InChIKey is VOSOECLEOQSSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34Cl2N4O2/c21-14-5-3-12(4-6-14)15-8-16-18(9-17(15)22)23-11-24-19(16)26-7-1-2-13(10-26)20(27)25-28/h12-19,23-24,28H,1-11H2,(H,25,27).
What are the key properties of 1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide?
1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-chloro-6-(4-chlorocyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]-N-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 140882614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).