3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide

C25H41ClFN5O4 — CID 140882624

IUPAC3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide
SMILESO=C(CC(=O)N1CCN(C2NCNC3C(F)C(C4CC(O)CC5CCCCC54)C(Cl)CC32)CC1)NO
InChIInChI=1S/C25H41ClFN5O4/c26-19-11-18-24(23(27)22(19)17-10-15(33)9-14-3-1-2-4-16(14)17)28-13-29-25(18)32-7-5-31(6-8-32)21(35)12-20(34)30-36/h14-19,22-25,28-29,33,36H,1-13H2,(H,30,34)
InChIKeyLBUUUABOTCJGJH-UHFFFAOYSA-N
MW530.09 g/mol
LogP1.03
Rot. Bonds4

About 3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide

3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide (PubChem CID 140882624) has the molecular formula C25H41ClFN5O4 and a molecular weight of 530.09 g/mol. Its IUPAC name is 3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide.

Molecular Properties

Compound Name3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide
PubChem CID140882624
Molecular FormulaC25H41ClFN5O4
Molecular Weight530.09 g/mol
Exact Mass529.28
IUPAC Name3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide
SMILESO=C(CC(=O)N1CCN(C2NCNC3C(F)C(C4CC(O)CC5CCCCC54)C(Cl)CC32)CC1)NO
InChIInChI=1S/C25H41ClFN5O4/c26-19-11-18-24(23(27)22(19)17-10-15(33)9-14-3-1-2-4-16(14)17)28-13-29-25(18)32-7-5-31(6-8-32)21(35)12-20(34)30-36/h14-19,22-25,28-29,33,36H,1-13H2,(H,30,34)
InChIKeyLBUUUABOTCJGJH-UHFFFAOYSA-N
XLogP1.03
TPSA117.17 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.09
LogP ≤ 51.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide?
The IUPAC name of 3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide (CID 140882624) is 3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide.
What is the SMILES notation for 3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide?
The canonical SMILES for 3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide is O=C(CC(=O)N1CCN(C2NCNC3C(F)C(C4CC(O)CC5CCCCC54)C(Cl)CC32)CC1)NO.
What is the InChIKey of 3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide?
The InChIKey is LBUUUABOTCJGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41ClFN5O4/c26-19-11-18-24(23(27)22(19)17-10-15(33)9-14-3-1-2-4-16(14)17)28-13-29-25(18)32-7-5-31(6-8-32)21(35)12-20(34)30-36/h14-19,22-25,28-29,33,36H,1-13H2,(H,30,34).
What are the key properties of 3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide?
3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide has a molecular weight of 530.09 g/mol, XLogP of 1.03, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-chloro-8-fluoro-7-(3-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-yl]piperazin-1-yl]-N-hydroxy-3-oxopropanamide is sourced from PubChem (CID 140882624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).